smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccccc1 ZINC001595191494 952285531 /nfs/dbraw/zinc/28/55/31/952285531.db2.gz RUSZTKNVWWZHIQ-UONOGXRCSA-N -1 1 376.250 3.455 20 10 GGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccccc1 ZINC001595191494 952285539 /nfs/dbraw/zinc/28/55/39/952285539.db2.gz RUSZTKNVWWZHIQ-UONOGXRCSA-N -1 1 376.250 3.455 20 10 GGCDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000840997837 955586985 /nfs/dbraw/zinc/58/69/85/955586985.db2.gz WUBBKIHOUKPRQV-UHFFFAOYSA-N -1 1 381.064 3.214 20 10 GGCDMM C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000840999415 955587706 /nfs/dbraw/zinc/58/77/06/955587706.db2.gz VSTMJPOAJNBRSN-ZETCQYMHSA-N -1 1 381.064 3.070 20 10 GGCDMM CN1CCCc2cc(CNCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)ccc21 ZINC001574029094 961988601 /nfs/dbraw/zinc/98/86/01/961988601.db2.gz BAHGFKUKJBDZJR-SFHVURJKSA-N -1 1 383.492 3.253 20 10 GGCDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001591711187 975592352 /nfs/dbraw/zinc/59/23/52/975592352.db2.gz IVDAHLAXQZAHSE-LBPRGKRZSA-N -1 1 380.666 3.118 20 10 GGCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001591757197 975833497 /nfs/dbraw/zinc/83/34/97/975833497.db2.gz WOOGEDGOVOMPEN-UHFFFAOYSA-N -1 1 385.825 3.332 20 10 GGCDMM CC(C)c1[nH]c(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC001591918215 976381551 /nfs/dbraw/zinc/38/15/51/976381551.db2.gz MLXKPCPIJYDTSP-UHFFFAOYSA-N -1 1 393.434 3.241 20 10 GGCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708089421 977415646 /nfs/dbraw/zinc/41/56/46/977415646.db2.gz MEYDSSIZKVCJGP-JTQLQIEISA-N -1 1 380.691 3.200 20 10 GGCDMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000793429144 978809173 /nfs/dbraw/zinc/80/91/73/978809173.db2.gz NVONCURIFUFNOQ-UHFFFAOYSA-N -1 1 383.397 3.126 20 10 GGCDMM CCN1CCN(c2ccc(CNc3nc(C(=O)[O-])c(C)s3)cc2F)CC1 ZINC000844208307 979357482 /nfs/dbraw/zinc/35/74/82/979357482.db2.gz HFUOFRFFNUGPNC-UHFFFAOYSA-N -1 1 378.473 3.043 20 10 GGCDMM O=C([O-])/C=C/c1ccc(N2CCN(CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000844208058 979358184 /nfs/dbraw/zinc/35/81/84/979358184.db2.gz NEDJZHFJBTXBCM-GQCTYLIASA-N -1 1 387.461 3.119 20 10 GGCDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000864159587 979773705 /nfs/dbraw/zinc/77/37/05/979773705.db2.gz HAJYRUZJEZZDHK-MRXNPFEDSA-N -1 1 383.492 3.024 20 10 GGCDMM CCCCCc1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n[nH]1 ZINC001595723941 982342867 /nfs/dbraw/zinc/34/28/67/982342867.db2.gz DHNMECKJEBNRQA-UHFFFAOYSA-N -1 1 379.844 3.228 20 10 GGCDMM CCOCCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C[C@@H](C)C(=O)[O-] ZINC001596915055 985938410 /nfs/dbraw/zinc/93/84/10/985938410.db2.gz QYKCHOXDVDIQJB-CYBMUJFWSA-N -1 1 388.302 3.412 20 10 GGCDMM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001589674878 987684586 /nfs/dbraw/zinc/68/45/86/987684586.db2.gz JDIQMJJPHNAMPV-UHFFFAOYSA-N -1 1 387.223 3.037 20 10 GGCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001597482597 987980101 /nfs/dbraw/zinc/98/01/01/987980101.db2.gz NRTVHUMBSUUMRQ-UHFFFAOYSA-N -1 1 385.825 3.116 20 10 GGCDMM CSCC[C@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795069 988083368 /nfs/dbraw/zinc/08/33/68/988083368.db2.gz XGBVSPOUBTUAKQ-DOMZBBRYSA-N -1 1 386.477 3.278 20 10 GGCDMM CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CC12CC(C(=O)[O-])C2 ZINC001589867600 988490198 /nfs/dbraw/zinc/49/01/98/988490198.db2.gz YNPFVVRAEAYONG-KLSXAPCHSA-N -1 1 395.883 3.300 20 10 GGCDMM CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CC12CC(C(=O)[O-])C2 ZINC001589867600 988490206 /nfs/dbraw/zinc/49/02/06/988490206.db2.gz YNPFVVRAEAYONG-KLSXAPCHSA-N -1 1 395.883 3.300 20 10 GGCDMM CN(CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC001598477921 992104290 /nfs/dbraw/zinc/10/42/90/992104290.db2.gz HLUKTKZTOUNLNX-UHFFFAOYSA-N -1 1 386.876 3.189 20 10 GGCDMM CN(CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC001598477921 992104299 /nfs/dbraw/zinc/10/42/99/992104299.db2.gz HLUKTKZTOUNLNX-UHFFFAOYSA-N -1 1 386.876 3.189 20 10 GGCDMM CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598524837 992706394 /nfs/dbraw/zinc/70/63/94/992706394.db2.gz KMSNJKOLWYGPMX-HXUWFJFHSA-N -1 1 385.460 3.425 20 10 GGCDMM CC(C)N(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591560965 992760406 /nfs/dbraw/zinc/76/04/06/992760406.db2.gz BCMPSGSVONRYFD-UHFFFAOYSA-N -1 1 375.494 3.361 20 10 GGCDMM C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ncc(C(=O)[O-])s1 ZINC001593099233 993729275 /nfs/dbraw/zinc/72/92/75/993729275.db2.gz RSLQJAWNDBVWPN-ZCFIWIBFSA-N -1 1 390.248 3.414 20 10 GGCDMM C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211179 994262679 /nfs/dbraw/zinc/26/26/79/994262679.db2.gz VPJCXOWENXHDRF-IINYFYTJSA-N -1 1 385.338 3.373 20 10 GGCDMM COc1ccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c(O)c1OC ZINC001599561809 998211296 /nfs/dbraw/zinc/21/12/96/998211296.db2.gz OEVMPFYREVEGNM-GFCCVEGCSA-N -1 1 378.450 3.210 20 10 GGCDMM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000277406596 565494947 /nfs/dbraw/zinc/49/49/47/565494947.db2.gz BTQROWLGVLXXDH-UHFFFAOYSA-N -1 1 394.269 3.186 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000277434637 565496821 /nfs/dbraw/zinc/49/68/21/565496821.db2.gz DZHYIEQXLUOLGI-UHFFFAOYSA-N -1 1 395.219 3.045 20 10 GGCDMM O=C(CCc1nnc(C2CCCC2)o1)NCc1cccc(Br)c1[O-] ZINC000277447531 565498062 /nfs/dbraw/zinc/49/80/62/565498062.db2.gz FYOXYZGJMWRPCB-UHFFFAOYSA-N -1 1 394.269 3.444 20 10 GGCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)C1CCCCC1 ZINC000277451629 565498125 /nfs/dbraw/zinc/49/81/25/565498125.db2.gz GFPYQBWMRXIAJK-GFCCVEGCSA-N -1 1 397.313 3.246 20 10 GGCDMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277582116 565507667 /nfs/dbraw/zinc/50/76/67/565507667.db2.gz RMJDLCIIMJZACV-TZMCWYRMSA-N -1 1 397.313 3.056 20 10 GGCDMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277582112 565507881 /nfs/dbraw/zinc/50/78/81/565507881.db2.gz RMJDLCIIMJZACV-OCCSQVGLSA-N -1 1 397.313 3.056 20 10 GGCDMM Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278930401 565585544 /nfs/dbraw/zinc/58/55/44/565585544.db2.gz HYZQEVOIUBOWMN-ZDUSSCGKSA-N -1 1 395.257 3.061 20 10 GGCDMM CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1O ZINC000173992693 565605465 /nfs/dbraw/zinc/60/54/65/565605465.db2.gz RACRNSAEWLDFMP-UHFFFAOYSA-N -1 1 394.294 3.475 20 10 GGCDMM Cc1cccc(CCCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000287161331 566001105 /nfs/dbraw/zinc/00/11/05/566001105.db2.gz ZEXZWOVWQLJXQB-UHFFFAOYSA-N -1 1 378.270 3.290 20 10 GGCDMM COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cccc(Cl)c1[O-] ZINC000289535247 566127117 /nfs/dbraw/zinc/12/71/17/566127117.db2.gz QBQAXBMAPZETHM-UHFFFAOYSA-N -1 1 382.869 3.107 20 10 GGCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000738347378 600051712 /nfs/dbraw/zinc/05/17/12/600051712.db2.gz INCMAAJWMPXZHS-UHFFFAOYSA-N -1 1 375.431 3.013 20 10 GGCDMM CCOc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000737211168 600054976 /nfs/dbraw/zinc/05/49/76/600054976.db2.gz XHJFYLDJJWLHCL-UHFFFAOYSA-N -1 1 393.446 3.036 20 10 GGCDMM O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739623630 600148862 /nfs/dbraw/zinc/14/88/62/600148862.db2.gz FIMQNKGKOVIKET-UNOMPAQXSA-N -1 1 390.505 3.028 20 10 GGCDMM O=C([O-])/C=C1\SCC(=O)N1CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739623630 600148864 /nfs/dbraw/zinc/14/88/64/600148864.db2.gz FIMQNKGKOVIKET-UNOMPAQXSA-N -1 1 390.505 3.028 20 10 GGCDMM CC(C)n1ncc2cc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cnc21 ZINC000736540140 600314156 /nfs/dbraw/zinc/31/41/56/600314156.db2.gz UHZBPXLAYOUATK-UHFFFAOYSA-N -1 1 388.855 3.458 20 10 GGCDMM CC(C)n1ncc2cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cnc21 ZINC000736540140 600314160 /nfs/dbraw/zinc/31/41/60/600314160.db2.gz UHZBPXLAYOUATK-UHFFFAOYSA-N -1 1 388.855 3.458 20 10 GGCDMM O=C([O-])C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739785129 600315484 /nfs/dbraw/zinc/31/54/84/600315484.db2.gz LLQHSYGXQUGGMB-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739785129 600315486 /nfs/dbraw/zinc/31/54/86/600315486.db2.gz LLQHSYGXQUGGMB-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM O=C([O-])C[N@H+](Cc1cncc(Br)c1)Cc1cc(Cl)ccc1[O-] ZINC000739799531 600315665 /nfs/dbraw/zinc/31/56/65/600315665.db2.gz UKSUKOBXGQAUSE-UHFFFAOYSA-N -1 1 385.645 3.290 20 10 GGCDMM O=C([O-])C[N@@H+](Cc1cncc(Br)c1)Cc1cc(Cl)ccc1[O-] ZINC000739799531 600315668 /nfs/dbraw/zinc/31/56/68/600315668.db2.gz UKSUKOBXGQAUSE-UHFFFAOYSA-N -1 1 385.645 3.290 20 10 GGCDMM C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738217283 600611268 /nfs/dbraw/zinc/61/12/68/600611268.db2.gz UWOWPHXBAYBOTM-SIJIIQCFSA-N -1 1 381.432 3.403 20 10 GGCDMM Cc1c(F)cccc1NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000832854926 601006727 /nfs/dbraw/zinc/00/67/27/601006727.db2.gz XFFATOSQFAQAON-UHFFFAOYSA-N -1 1 394.830 3.409 20 10 GGCDMM Cc1c(F)cccc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000832854926 601006730 /nfs/dbraw/zinc/00/67/30/601006730.db2.gz XFFATOSQFAQAON-UHFFFAOYSA-N -1 1 394.830 3.409 20 10 GGCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000833324159 601128494 /nfs/dbraw/zinc/12/84/94/601128494.db2.gz JAPZQQVRHFUJMH-UHFFFAOYSA-N -1 1 386.454 3.408 20 10 GGCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(Cl)cc1Cl ZINC000013339955 601316715 /nfs/dbraw/zinc/31/67/15/601316715.db2.gz ADOMBLBFMFGJMS-UHFFFAOYSA-N -1 1 390.200 3.221 20 10 GGCDMM Cc1cc(C(=O)CN2CCC[C@@H]2CCCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860048 601595597 /nfs/dbraw/zinc/59/55/97/601595597.db2.gz YCPXTSDZSJLBRW-GOSISDBHSA-N -1 1 384.476 3.212 20 10 GGCDMM Cc1cc(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1 ZINC000832859029 601599037 /nfs/dbraw/zinc/59/90/37/601599037.db2.gz NTOVALYUXVJKHR-UHFFFAOYSA-N -1 1 384.476 3.233 20 10 GGCDMM COc1cc(Br)cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000831861275 604463064 /nfs/dbraw/zinc/46/30/64/604463064.db2.gz SLWRQIFGLKVSPR-HNNXBMFYSA-N -1 1 392.249 3.175 20 10 GGCDMM O=C([O-])c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000833310992 604916283 /nfs/dbraw/zinc/91/62/83/604916283.db2.gz SHXNHKJXFCBKMW-KRWDZBQOSA-N -1 1 388.851 3.138 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000004541493 1398400449 /nfs/dbraw/zinc/40/04/49/1398400449.db2.gz CNNISTBWWAEUJT-UHFFFAOYSA-N -1 1 376.412 3.208 20 10 GGCDMM COc1ccc(C(=O)[N-]C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000022267893 1399448903 /nfs/dbraw/zinc/44/89/03/1399448903.db2.gz CYYJIAZJXLMOLX-UHFFFAOYSA-N -1 1 381.457 3.144 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C ZINC000055668513 1407049461 /nfs/dbraw/zinc/04/94/61/1407049461.db2.gz XKROSKHANSIGPY-UHFFFAOYSA-N -1 1 388.898 3.211 20 10 GGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821610768 1428223127 /nfs/dbraw/zinc/22/31/27/1428223127.db2.gz DTJMELSSVOGPGJ-UHFFFAOYSA-N -1 1 382.493 3.191 20 10 GGCDMM Fc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1N1CCOCC1 ZINC000737643915 1428325007 /nfs/dbraw/zinc/32/50/07/1428325007.db2.gz HUVWKJUWMFXPGQ-UHFFFAOYSA-N -1 1 388.834 3.108 20 10 GGCDMM CCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000066097064 1408781629 /nfs/dbraw/zinc/78/16/29/1408781629.db2.gz AVVKMVIFQXXTPT-UHFFFAOYSA-N -1 1 382.464 3.129 20 10 GGCDMM CCn1c(CCNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n[n-]c1=S ZINC000067076752 1409002835 /nfs/dbraw/zinc/00/28/35/1409002835.db2.gz BAMXKBSSAKMMLV-UHFFFAOYSA-N -1 1 399.520 3.349 20 10 GGCDMM Cc1cnc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)o1 ZINC000826317701 1428376951 /nfs/dbraw/zinc/37/69/51/1428376951.db2.gz LGDMTWDULZLHGH-ZDUSSCGKSA-N -1 1 391.435 3.062 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000093909796 1410282458 /nfs/dbraw/zinc/28/24/58/1410282458.db2.gz VAICFQAHZJTIRD-UHFFFAOYSA-N -1 1 382.441 3.268 20 10 GGCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C(F)(F)F ZINC000093909932 1410282534 /nfs/dbraw/zinc/28/25/34/1410282534.db2.gz QKVPVSYPAQDNPX-UHFFFAOYSA-N -1 1 388.367 3.343 20 10 GGCDMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc2ccccc2cc1[O-] ZINC000098109714 1410423381 /nfs/dbraw/zinc/42/33/81/1410423381.db2.gz SYEVFIJXTVNFEN-UHFFFAOYSA-N -1 1 396.468 3.033 20 10 GGCDMM Cc1noc(C2CC[NH+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])CC2)n1 ZINC000102885257 1410804031 /nfs/dbraw/zinc/80/40/31/1410804031.db2.gz BMQXWPVJEHCGNM-UHFFFAOYSA-N -1 1 393.443 3.400 20 10 GGCDMM NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000103412364 1410854033 /nfs/dbraw/zinc/85/40/33/1410854033.db2.gz WKANRLUBLKMCSO-UHFFFAOYSA-N -1 1 375.428 3.136 20 10 GGCDMM COc1ccc(O)c([C@H](C)NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000103530294 1410866233 /nfs/dbraw/zinc/86/62/33/1410866233.db2.gz IEOVMQAODRYIOJ-JTQLQIEISA-N -1 1 390.490 3.261 20 10 GGCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000111995489 1412064402 /nfs/dbraw/zinc/06/44/02/1412064402.db2.gz NIPUOAMMSIZGIF-UHFFFAOYSA-N -1 1 377.422 3.004 20 10 GGCDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000119969574 1413636717 /nfs/dbraw/zinc/63/67/17/1413636717.db2.gz HUNJCGJXBWXRTA-UHFFFAOYSA-N -1 1 398.488 3.371 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC(=O)c2ccco2)c1[O-] ZINC000121010299 1413976036 /nfs/dbraw/zinc/97/60/36/1413976036.db2.gz QIECWBGTYKSXPV-OAHLLOKOSA-N -1 1 377.824 3.315 20 10 GGCDMM O=C(NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)c1ccccc1 ZINC000123052722 1414628393 /nfs/dbraw/zinc/62/83/93/1414628393.db2.gz JOMZCIODFPVTLB-UHFFFAOYSA-N -1 1 389.839 3.348 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000123889607 1414844106 /nfs/dbraw/zinc/84/41/06/1414844106.db2.gz ZJKWPYLOOMTOQK-UHFFFAOYSA-N -1 1 391.493 3.189 20 10 GGCDMM COc1ccccc1S(=O)(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000126973354 1415621874 /nfs/dbraw/zinc/62/18/74/1415621874.db2.gz AAYZPGASEXYIKA-UHFFFAOYSA-N -1 1 389.521 3.026 20 10 GGCDMM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCSc2nccs2)n1 ZINC000737635485 1429030163 /nfs/dbraw/zinc/03/01/63/1429030163.db2.gz HPFVDWYCEAOADS-UHFFFAOYSA-N -1 1 387.416 3.331 20 10 GGCDMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179692569 1429509766 /nfs/dbraw/zinc/50/97/66/1429509766.db2.gz WVEBVJKMADNESU-UHFFFAOYSA-N -1 1 388.367 3.343 20 10 GGCDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000738359512 1429554194 /nfs/dbraw/zinc/55/41/94/1429554194.db2.gz SKESTDLOVOVEDO-CYBMUJFWSA-N -1 1 399.386 3.249 20 10 GGCDMM CC(C)(C)c1cnc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819966159 1429602802 /nfs/dbraw/zinc/60/28/02/1429602802.db2.gz XZHJYQSYJAGONM-UHFFFAOYSA-N -1 1 388.522 3.029 20 10 GGCDMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc2NC1=O ZINC000159707297 1424525632 /nfs/dbraw/zinc/52/56/32/1424525632.db2.gz CYAHPGLDQSBHQH-UHFFFAOYSA-N -1 1 385.489 3.317 20 10 GGCDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000170661453 1425281242 /nfs/dbraw/zinc/28/12/42/1425281242.db2.gz OOAIPPNPWXNZPW-UHFFFAOYSA-N -1 1 395.868 3.327 20 10 GGCDMM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569822 1425551747 /nfs/dbraw/zinc/55/17/47/1425551747.db2.gz XFGXWZHUNDQOLN-SOFGYWHQSA-N -1 1 386.456 3.436 20 10 GGCDMM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821839526 1425606796 /nfs/dbraw/zinc/60/67/96/1425606796.db2.gz VYFKDKZYVCGMTG-SECBINFHSA-N -1 1 388.815 3.117 20 10 GGCDMM COc1ccc(N2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737098001 1425876763 /nfs/dbraw/zinc/87/67/63/1425876763.db2.gz AWFRWNNHYBYNDF-UHFFFAOYSA-N -1 1 385.859 3.005 20 10 GGCDMM [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826511162 1426099338 /nfs/dbraw/zinc/09/93/38/1426099338.db2.gz FDHPDOADPHPWJE-UHFFFAOYSA-N -1 1 385.855 3.269 20 10 GGCDMM CCN(CC)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736533307 1426209470 /nfs/dbraw/zinc/20/94/70/1426209470.db2.gz YLALDEIZQUWCPN-QGOAFFKASA-N -1 1 388.431 3.057 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](C)c2ccc[nH]2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826258333 1426613962 /nfs/dbraw/zinc/61/39/62/1426613962.db2.gz HPJQPOATTDXDJY-ZDUSSCGKSA-N -1 1 375.436 3.093 20 10 GGCDMM Cc1cc(C(=O)Nc2ccnn2C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237702 1427083722 /nfs/dbraw/zinc/08/37/22/1427083722.db2.gz CMAMYZDANUWGOP-UHFFFAOYSA-N -1 1 390.451 3.304 20 10 GGCDMM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000737637117 1427131822 /nfs/dbraw/zinc/13/18/22/1427131822.db2.gz ZSABYYAMUCANOB-UHFFFAOYSA-N -1 1 387.369 3.269 20 10 GGCDMM CCc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000736678167 1427395877 /nfs/dbraw/zinc/39/58/77/1427395877.db2.gz VSYVWMPUOVIWBK-UHFFFAOYSA-N -1 1 377.408 3.077 20 10 GGCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000174919602 1427445571 /nfs/dbraw/zinc/44/55/71/1427445571.db2.gz XHJUJWRUFVODIU-UHFFFAOYSA-N -1 1 386.521 3.063 20 10 GGCDMM Cc1ccnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1-c1nnn[n-]1 ZINC000826312934 1427470291 /nfs/dbraw/zinc/47/02/91/1427470291.db2.gz RRRUXWORIHRWTG-HNNXBMFYSA-N -1 1 399.886 3.006 20 10 GGCDMM Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1-c1nnn[n-]1 ZINC000826312934 1427470294 /nfs/dbraw/zinc/47/02/94/1427470294.db2.gz RRRUXWORIHRWTG-HNNXBMFYSA-N -1 1 399.886 3.006 20 10 GGCDMM CCCn1ccc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc21 ZINC000175272550 1427640215 /nfs/dbraw/zinc/64/02/15/1427640215.db2.gz QCRDJCOSPYUROW-UHFFFAOYSA-N -1 1 387.461 3.381 20 10 GGCDMM Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000775548119 1427771738 /nfs/dbraw/zinc/77/17/38/1427771738.db2.gz ZGXWJEUDTDVVLF-AWEZNQCLSA-N -1 1 384.871 3.280 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000175559714 1427815241 /nfs/dbraw/zinc/81/52/41/1427815241.db2.gz JSVNQDNNIJPIFN-UHFFFAOYSA-N -1 1 388.367 3.121 20 10 GGCDMM COc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccco1)Cc1ccccc1O ZINC000826182473 1427854819 /nfs/dbraw/zinc/85/48/19/1427854819.db2.gz KQFLLAXVHMYHLM-UHFFFAOYSA-N -1 1 391.431 3.376 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc3[nH]cnc3c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737238549 1427890257 /nfs/dbraw/zinc/89/02/57/1427890257.db2.gz OQFTWAPQSQAJFR-UHFFFAOYSA-N -1 1 398.430 3.403 20 10 GGCDMM Cc1cc(C(=O)N2CCC3(CC3)CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232957 1429868309 /nfs/dbraw/zinc/86/83/09/1429868309.db2.gz BMGFSCFVXUQZAC-UHFFFAOYSA-N -1 1 376.464 3.290 20 10 GGCDMM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)SC(=S)N1c1ccccc1 ZINC000826475404 1430153058 /nfs/dbraw/zinc/15/30/58/1430153058.db2.gz FQSGSZRIJHSICC-NTEUORMPSA-N -1 1 383.433 3.412 20 10 GGCDMM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000826274511 1430153729 /nfs/dbraw/zinc/15/37/29/1430153729.db2.gz UBELQPHPOKBVDU-UHFFFAOYSA-N -1 1 375.411 3.484 20 10 GGCDMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000183514279 1430732245 /nfs/dbraw/zinc/73/22/45/1430732245.db2.gz FOIWHRNMPQLVGX-UHFFFAOYSA-N -1 1 375.856 3.465 20 10 GGCDMM CC(=O)N1CCN(c2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)CC1 ZINC000187124027 1431623054 /nfs/dbraw/zinc/62/30/54/1431623054.db2.gz XXRYFBNNLNFPMY-UHFFFAOYSA-N -1 1 389.455 3.466 20 10 GGCDMM CC(C)C[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877424 1431823195 /nfs/dbraw/zinc/82/31/95/1431823195.db2.gz PRJWVAVEXCGDMB-SKDRFNHKSA-N -1 1 378.383 3.277 20 10 GGCDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[O-] ZINC000188582790 1431897305 /nfs/dbraw/zinc/89/73/05/1431897305.db2.gz FSYLKWHBOKWKGG-OAHLLOKOSA-N -1 1 387.386 3.264 20 10 GGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000189425736 1432107406 /nfs/dbraw/zinc/10/74/06/1432107406.db2.gz XALOCAYSEZZCDZ-UHFFFAOYSA-N -1 1 392.452 3.131 20 10 GGCDMM CSCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393003 1434985927 /nfs/dbraw/zinc/98/59/27/1434985927.db2.gz LCKMSJPIAPIJOB-SWLSCSKDSA-N -1 1 387.465 3.488 20 10 GGCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc([C@@H]3CCCO3)no2)c1)c1cccs1 ZINC000274196388 1435050337 /nfs/dbraw/zinc/05/03/37/1435050337.db2.gz QZFJLEGIESHOOH-ZDUSSCGKSA-N -1 1 393.446 3.156 20 10 GGCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc([C@H]3CCCO3)no2)c1)c1cccs1 ZINC000274196387 1435050395 /nfs/dbraw/zinc/05/03/95/1435050395.db2.gz QZFJLEGIESHOOH-CYBMUJFWSA-N -1 1 393.446 3.156 20 10 GGCDMM COc1c([O-])c(CN(C)CC(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000278316724 1435379240 /nfs/dbraw/zinc/37/92/40/1435379240.db2.gz XKGLQZGUWHQMCD-UHFFFAOYSA-N -1 1 391.449 3.101 20 10 GGCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2F)C[C@H](C)O1 ZINC000280822513 1435726059 /nfs/dbraw/zinc/72/60/59/1435726059.db2.gz RUWTZBHEXAGKNL-TXEJJXNPSA-N -1 1 394.393 3.353 20 10 GGCDMM Cc1ccc(F)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822239802 1441419564 /nfs/dbraw/zinc/41/95/64/1441419564.db2.gz FDEYYYJVXBCSOS-QPEQYQDCSA-N -1 1 387.421 3.313 20 10 GGCDMM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257940 1441568282 /nfs/dbraw/zinc/56/82/82/1441568282.db2.gz UCYZVGWNDXQQOU-XIKOKIGWSA-N -1 1 382.443 3.094 20 10 GGCDMM CSc1cccc(-n2c(C)cc(C(=O)Cn3ccnc3-c3nnn[n-]3)c2C)c1 ZINC000826230576 1441636039 /nfs/dbraw/zinc/63/60/39/1441636039.db2.gz ABAWRNFIOMFTSD-UHFFFAOYSA-N -1 1 393.476 3.076 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C1CCCCC1 ZINC000823505281 1441647759 /nfs/dbraw/zinc/64/77/59/1441647759.db2.gz ZMGJGWZLOQEVNC-KPKJPENVSA-N -1 1 377.520 3.462 20 10 GGCDMM Fc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1N1CCOCC1 ZINC000826372096 1441846386 /nfs/dbraw/zinc/84/63/86/1441846386.db2.gz HNNWOXYWUDUCFY-UHFFFAOYSA-N -1 1 388.834 3.108 20 10 GGCDMM [O-]c1cccc(Cl)c1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738400813 1442418241 /nfs/dbraw/zinc/41/82/41/1442418241.db2.gz KUQNWZRRRBWWFG-UHFFFAOYSA-N -1 1 375.885 3.249 20 10 GGCDMM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530175 1442429862 /nfs/dbraw/zinc/42/98/62/1442429862.db2.gz JPUTYRNDZFUGGJ-CABCVRRESA-N -1 1 396.470 3.254 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1Cc1ccccc1 ZINC000823504320 1442434895 /nfs/dbraw/zinc/43/48/95/1442434895.db2.gz OXRUSRRONMVJFV-OQLLNIDSSA-N -1 1 397.460 3.407 20 10 GGCDMM Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233899 1442472131 /nfs/dbraw/zinc/47/21/31/1442472131.db2.gz ILVWNBLJWDWWDS-KBPBESRZSA-N -1 1 378.480 3.392 20 10 GGCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825878773 1443263685 /nfs/dbraw/zinc/26/36/85/1443263685.db2.gz FDPOPZQBHVSIJS-UHFFFAOYSA-N -1 1 399.842 3.017 20 10 GGCDMM Fc1cc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(F)c1F ZINC000822753988 1443442036 /nfs/dbraw/zinc/44/20/36/1443442036.db2.gz VJPODVPXAHHOQX-UHFFFAOYSA-N -1 1 399.789 3.251 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1CCc1ccccc1 ZINC000823503527 1443488148 /nfs/dbraw/zinc/48/81/48/1443488148.db2.gz GENWEVROIVNNNL-NTEUORMPSA-N -1 1 399.526 3.372 20 10 GGCDMM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000826512054 1443581380 /nfs/dbraw/zinc/58/13/80/1443581380.db2.gz NAJOGSOYRMRQJI-UHFFFAOYSA-N -1 1 380.264 3.487 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826285188 1443675782 /nfs/dbraw/zinc/67/57/82/1443675782.db2.gz RLQXOSXONYBMJI-UHFFFAOYSA-N -1 1 384.443 3.477 20 10 GGCDMM Cc1cc(C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232622 1443823231 /nfs/dbraw/zinc/82/32/31/1443823231.db2.gz CKRLTTYWZONPIV-CQSZACIVSA-N -1 1 387.447 3.160 20 10 GGCDMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736958573 1444012612 /nfs/dbraw/zinc/01/26/12/1444012612.db2.gz VHPRYKVQZVTOJQ-CYBMUJFWSA-N -1 1 396.495 3.208 20 10 GGCDMM Cc1cc(C(=O)N(C)Cc2ccoc2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737557394 1446248358 /nfs/dbraw/zinc/24/83/58/1446248358.db2.gz TUKGUXKATXRSKU-UHFFFAOYSA-N -1 1 390.447 3.448 20 10 GGCDMM COc1ccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826208910 1446406716 /nfs/dbraw/zinc/40/67/16/1446406716.db2.gz FPDSAYUKOSQIAW-UHFFFAOYSA-N -1 1 393.426 3.051 20 10 GGCDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000738359513 1446489254 /nfs/dbraw/zinc/48/92/54/1446489254.db2.gz SKESTDLOVOVEDO-ZDUSSCGKSA-N -1 1 399.386 3.249 20 10 GGCDMM Cc1cc(C(=O)N2CCC[C@@H]2C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233459 1446518220 /nfs/dbraw/zinc/51/82/20/1446518220.db2.gz FZTDZCHFNMCSMU-LJQANCHMSA-N -1 1 376.464 3.289 20 10 GGCDMM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826238931 1446538366 /nfs/dbraw/zinc/53/83/66/1446538366.db2.gz TUTAESVUTPDOFU-ZDUSSCGKSA-N -1 1 399.886 3.233 20 10 GGCDMM Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233249 1446694121 /nfs/dbraw/zinc/69/41/21/1446694121.db2.gz HBLUZQOECPLNPD-UHFFFAOYSA-N -1 1 376.464 3.193 20 10 GGCDMM COc1ccc(N(C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)cc1F ZINC000826209169 1446718950 /nfs/dbraw/zinc/71/89/50/1446718950.db2.gz PPDITIFAXQRTEY-UHFFFAOYSA-N -1 1 393.426 3.145 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821197471 1446792162 /nfs/dbraw/zinc/79/21/62/1446792162.db2.gz LJUHZYCVOTZKSL-UHFFFAOYSA-N -1 1 383.431 3.174 20 10 GGCDMM Cc1ncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)s1 ZINC000737490460 1447112555 /nfs/dbraw/zinc/11/25/55/1447112555.db2.gz VRNKPFZIPNBTRN-CMDGGOBGSA-N -1 1 392.444 3.471 20 10 GGCDMM Cc1cc(CCNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccccc1 ZINC000822200183 1447210723 /nfs/dbraw/zinc/21/07/23/1447210723.db2.gz XVNGZABOVSQQMK-UHFFFAOYSA-N -1 1 386.459 3.247 20 10 GGCDMM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826168035 1449071681 /nfs/dbraw/zinc/07/16/81/1449071681.db2.gz ZYNUEMMYUHUROI-UHFFFAOYSA-N -1 1 392.507 3.498 20 10 GGCDMM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826168035 1449071688 /nfs/dbraw/zinc/07/16/88/1449071688.db2.gz ZYNUEMMYUHUROI-UHFFFAOYSA-N -1 1 392.507 3.498 20 10 GGCDMM Cc1cc(C(=O)NCCCC(F)(F)F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822176933 1449139662 /nfs/dbraw/zinc/13/96/62/1449139662.db2.gz QKLHZWGMWVYBCL-UHFFFAOYSA-N -1 1 392.385 3.347 20 10 GGCDMM Cc1cc(C(=O)N(C)Cc2ccco2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737227414 1449391404 /nfs/dbraw/zinc/39/14/04/1449391404.db2.gz KVSWHYIVADAFMU-UHFFFAOYSA-N -1 1 376.420 3.139 20 10 GGCDMM Cc1cc(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)n1-c1ccc(Cl)cc1 ZINC000774001847 1449951538 /nfs/dbraw/zinc/95/15/38/1449951538.db2.gz IHBXQNSIJZVTGM-LBPRGKRZSA-N -1 1 386.887 3.065 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000736281228 1450370220 /nfs/dbraw/zinc/37/02/20/1450370220.db2.gz UDDQYQQVFGBKRJ-UHFFFAOYSA-N -1 1 376.464 3.033 20 10 GGCDMM C[C@@H]1CCCN(c2ccc(CNCc3cc(C(=O)[O-])nn3C)cc2Cl)C1 ZINC001589332330 953951073 /nfs/dbraw/zinc/95/10/73/953951073.db2.gz HWYQQXQFESPYMR-CYBMUJFWSA-N -1 1 376.888 3.298 20 10 GGCDMM O=C([O-])C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C1CCC1 ZINC000848640043 955774492 /nfs/dbraw/zinc/77/44/92/955774492.db2.gz MOTAYBYMOKSFJU-UHFFFAOYSA-N -1 1 393.075 3.356 20 10 GGCDMM O=C([O-])[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892873 972696935 /nfs/dbraw/zinc/69/69/35/972696935.db2.gz JQEGIZQGNKZUEH-FUHWJXTLSA-N -1 1 394.899 3.017 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000864160192 979775669 /nfs/dbraw/zinc/77/56/69/979775669.db2.gz SXBKYYADUMNYLO-SFHVURJKSA-N -1 1 383.492 3.024 20 10 GGCDMM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541766 980369502 /nfs/dbraw/zinc/36/95/02/980369502.db2.gz KGAFKBCKURHHFM-GOSISDBHSA-N -1 1 397.313 3.115 20 10 GGCDMM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541769 980369980 /nfs/dbraw/zinc/36/99/80/980369980.db2.gz KGAFKBCKURHHFM-SFHVURJKSA-N -1 1 397.313 3.115 20 10 GGCDMM CCOC(=O)c1[nH]c(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C ZINC001596691015 984802657 /nfs/dbraw/zinc/80/26/57/984802657.db2.gz CYSMFYKZNYQOOD-UHFFFAOYSA-N -1 1 394.855 3.254 20 10 GGCDMM CCOC(=O)c1[nH]c(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C ZINC001596691015 984802680 /nfs/dbraw/zinc/80/26/80/984802680.db2.gz CYSMFYKZNYQOOD-UHFFFAOYSA-N -1 1 394.855 3.254 20 10 GGCDMM CC(C)(C)CC(=O)N1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001589737755 987997174 /nfs/dbraw/zinc/99/71/74/987997174.db2.gz SYADZUOBQYNFSK-UHFFFAOYSA-N -1 1 384.476 3.324 20 10 GGCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])c4cccnc34)CC2)cc1F ZINC001599586654 993622851 /nfs/dbraw/zinc/62/28/51/993622851.db2.gz VBXLPLDGYCQJJT-UHFFFAOYSA-N -1 1 395.434 3.403 20 10 GGCDMM COc1ccc([C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599527820 997593677 /nfs/dbraw/zinc/59/36/77/997593677.db2.gz RELLNTRWTTYXSG-MRXNPFEDSA-N -1 1 396.237 3.087 20 10 GGCDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001599465826 998358886 /nfs/dbraw/zinc/35/88/86/998358886.db2.gz PSBDLYZPFNWFQS-INIZCTEOSA-N -1 1 375.396 3.123 20 10 GGCDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001594167548 998645980 /nfs/dbraw/zinc/64/59/80/998645980.db2.gz QPPABYNMWSNQEB-XCBNKYQSSA-N -1 1 393.075 3.212 20 10 GGCDMM CN(C)c1ccc(CN(C)C(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000012565024 206914770 /nfs/dbraw/zinc/91/47/70/206914770.db2.gz VNHXXEAOEGCMTC-UHFFFAOYSA-N -1 1 387.534 3.394 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000268012840 565138739 /nfs/dbraw/zinc/13/87/39/565138739.db2.gz RPULAMOEKIHFSR-UHFFFAOYSA-N -1 1 383.491 3.028 20 10 GGCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000296616514 565326628 /nfs/dbraw/zinc/32/66/28/565326628.db2.gz IOJMMYQJRKTTTG-UHFFFAOYSA-N -1 1 378.270 3.327 20 10 GGCDMM COc1cc(Br)cc(CN2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374745610 565353397 /nfs/dbraw/zinc/35/33/97/565353397.db2.gz YAEDSEFVYYEJKU-UHFFFAOYSA-N -1 1 396.285 3.408 20 10 GGCDMM C[C@@H](CCO)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277274904 565487152 /nfs/dbraw/zinc/48/71/52/565487152.db2.gz AIWMKYBXEVMLHK-LBPRGKRZSA-N -1 1 385.302 3.143 20 10 GGCDMM C[C@H](CCO)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277274899 565487186 /nfs/dbraw/zinc/48/71/86/565487186.db2.gz AIWMKYBXEVMLHK-GFCCVEGCSA-N -1 1 385.302 3.143 20 10 GGCDMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277402563 565494558 /nfs/dbraw/zinc/49/45/58/565494558.db2.gz BMHMYSRDUZIRLM-SNVBAGLBSA-N -1 1 380.286 3.000 20 10 GGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])[nH]c2c1C(=O)CCC2 ZINC000277429628 565495413 /nfs/dbraw/zinc/49/54/13/565495413.db2.gz DNBPHBIMFQUOMR-UHFFFAOYSA-N -1 1 377.238 3.240 20 10 GGCDMM CCc1nc(CCNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277432892 565496494 /nfs/dbraw/zinc/49/64/94/565496494.db2.gz MACCYEPBLJOGPC-UHFFFAOYSA-N -1 1 384.299 3.216 20 10 GGCDMM O=C(CCOCC(F)(F)C(F)F)NCc1cccc(Br)c1[O-] ZINC000277432220 565497189 /nfs/dbraw/zinc/49/71/89/565497189.db2.gz DTWZIBYEYVDIBL-UHFFFAOYSA-N -1 1 388.155 3.078 20 10 GGCDMM COc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000277462012 565498710 /nfs/dbraw/zinc/49/87/10/565498710.db2.gz HDMXFEVKYCGPNZ-UHFFFAOYSA-N -1 1 394.265 3.421 20 10 GGCDMM COCCOc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000277495165 565501177 /nfs/dbraw/zinc/50/11/77/565501177.db2.gz JUKLKROBUMNJMB-UHFFFAOYSA-N -1 1 394.265 3.039 20 10 GGCDMM O=C(CC1CCC2(CC1)OCCO2)NCc1cccc(Br)c1[O-] ZINC000277553873 565506792 /nfs/dbraw/zinc/50/67/92/565506792.db2.gz OMUGJFUHTITYBM-UHFFFAOYSA-N -1 1 384.270 3.094 20 10 GGCDMM CC(C)(O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000277624440 565509829 /nfs/dbraw/zinc/50/98/29/565509829.db2.gz WNVVHZGCMXBOCR-UHFFFAOYSA-N -1 1 393.281 3.382 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC2(CCCC2)C1 ZINC000277795647 565520867 /nfs/dbraw/zinc/52/08/67/565520867.db2.gz SURPWGURWZNHEN-CYBMUJFWSA-N -1 1 383.286 3.446 20 10 GGCDMM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cccc2nsnc21 ZINC000562941489 566837154 /nfs/dbraw/zinc/83/71/54/566837154.db2.gz JTFMVIAJVCYLDY-UHFFFAOYSA-N -1 1 393.343 3.372 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000819051330 597537299 /nfs/dbraw/zinc/53/72/99/597537299.db2.gz HQCQDEYYOTVRPR-OAHLLOKOSA-N -1 1 379.412 3.381 20 10 GGCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822196401 599308666 /nfs/dbraw/zinc/30/86/66/599308666.db2.gz IBUVHQAOLXZDLM-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000822196401 599308668 /nfs/dbraw/zinc/30/86/68/599308668.db2.gz IBUVHQAOLXZDLM-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822196402 599309220 /nfs/dbraw/zinc/30/92/20/599309220.db2.gz IBUVHQAOLXZDLM-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000822196402 599309223 /nfs/dbraw/zinc/30/92/23/599309223.db2.gz IBUVHQAOLXZDLM-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000819835367 599311114 /nfs/dbraw/zinc/31/11/14/599311114.db2.gz WPEHLYVFSPLSLT-ZSOIEALJSA-N -1 1 397.441 3.068 20 10 GGCDMM CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000819835367 599311117 /nfs/dbraw/zinc/31/11/17/599311117.db2.gz WPEHLYVFSPLSLT-ZSOIEALJSA-N -1 1 397.441 3.068 20 10 GGCDMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821496530 599311847 /nfs/dbraw/zinc/31/18/47/599311847.db2.gz HMXVSBKWHTVCOC-ZROIWOOFSA-N -1 1 383.458 3.428 20 10 GGCDMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821496530 599311850 /nfs/dbraw/zinc/31/18/50/599311850.db2.gz HMXVSBKWHTVCOC-ZROIWOOFSA-N -1 1 383.458 3.428 20 10 GGCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000738347686 600051500 /nfs/dbraw/zinc/05/15/00/600051500.db2.gz SAQBNQQOWFLPHE-UHFFFAOYSA-N -1 1 375.431 3.013 20 10 GGCDMM O=C([O-])CN(CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1O ZINC000739793690 600714563 /nfs/dbraw/zinc/71/45/63/600714563.db2.gz NCFGXPFQPMBHAA-UHFFFAOYSA-N -1 1 387.823 3.225 20 10 GGCDMM O=C([O-])C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000739793690 600714568 /nfs/dbraw/zinc/71/45/68/600714568.db2.gz NCFGXPFQPMBHAA-UHFFFAOYSA-N -1 1 387.823 3.225 20 10 GGCDMM O=C([O-])C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000739793690 600714571 /nfs/dbraw/zinc/71/45/71/600714571.db2.gz NCFGXPFQPMBHAA-UHFFFAOYSA-N -1 1 387.823 3.225 20 10 GGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000825946526 601151093 /nfs/dbraw/zinc/15/10/93/601151093.db2.gz CQQZXLXKQDIGLU-HNNXBMFYSA-N -1 1 396.212 3.412 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833029923 601371810 /nfs/dbraw/zinc/37/18/10/601371810.db2.gz MDHVPKRCBUBBSW-QFIPXVFZSA-N -1 1 397.402 3.473 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833029923 601371813 /nfs/dbraw/zinc/37/18/13/601371813.db2.gz MDHVPKRCBUBBSW-QFIPXVFZSA-N -1 1 397.402 3.473 20 10 GGCDMM Cc1cc(C(=O)CN(C[C@H]2CCOC2)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859791 601594244 /nfs/dbraw/zinc/59/42/44/601594244.db2.gz XAKKRJHHPOCHNB-QGZVFWFLSA-N -1 1 396.487 3.476 20 10 GGCDMM CCN(CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C)C[C@H]1CCOC1 ZINC000829635663 601594453 /nfs/dbraw/zinc/59/44/53/601594453.db2.gz NZKSQSDZBCFKMZ-QGZVFWFLSA-N -1 1 384.476 3.333 20 10 GGCDMM C[C@H](c1ccccc1)N(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1O ZINC000827951100 601762059 /nfs/dbraw/zinc/76/20/59/601762059.db2.gz UWWWMYGIHOXTAP-QGZVFWFLSA-N -1 1 396.487 3.279 20 10 GGCDMM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000833310993 604916073 /nfs/dbraw/zinc/91/60/73/604916073.db2.gz SHXNHKJXFCBKMW-QGZVFWFLSA-N -1 1 388.851 3.138 20 10 GGCDMM O=C([O-])c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000833328433 604916207 /nfs/dbraw/zinc/91/62/07/604916207.db2.gz LYWNPTNPMCAJPT-KRWDZBQOSA-N -1 1 388.851 3.138 20 10 GGCDMM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000833328434 604916246 /nfs/dbraw/zinc/91/62/46/604916246.db2.gz LYWNPTNPMCAJPT-QGZVFWFLSA-N -1 1 388.851 3.138 20 10 GGCDMM Cc1cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000833752357 605195283 /nfs/dbraw/zinc/19/52/83/605195283.db2.gz RPVHSLDKZHBGPE-SFHVURJKSA-N -1 1 397.519 3.066 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1ccc(F)cc1 ZINC000823504682 606390132 /nfs/dbraw/zinc/39/01/32/606390132.db2.gz STNGTVPHJHAZJS-GHXNOFRVSA-N -1 1 389.462 3.473 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000055198346 1406901412 /nfs/dbraw/zinc/90/14/12/1406901412.db2.gz OOJOZUKXKAYMSC-UHFFFAOYSA-N -1 1 390.461 3.337 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000055639070 1407035955 /nfs/dbraw/zinc/03/59/55/1407035955.db2.gz HSWHHDIXJQEOCY-UHFFFAOYSA-N -1 1 388.898 3.211 20 10 GGCDMM COc1ccc2[nH]cc(C3=CCN(c4nccc(C)c4-c4nnn[n-]4)CC3)c2c1 ZINC000826212302 1426917689 /nfs/dbraw/zinc/91/76/89/1426917689.db2.gz MFJWZKDUDDHOBC-UHFFFAOYSA-N -1 1 387.447 3.354 20 10 GGCDMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc2oc1=O ZINC000062137822 1408214313 /nfs/dbraw/zinc/21/43/13/1408214313.db2.gz UVJFVMMSVJHBSO-UHFFFAOYSA-N -1 1 387.461 3.015 20 10 GGCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000063849114 1408427523 /nfs/dbraw/zinc/42/75/23/1408427523.db2.gz AMVCAPDDHAGICV-UHFFFAOYSA-N -1 1 388.898 3.293 20 10 GGCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1ccccn1 ZINC000067079497 1409004397 /nfs/dbraw/zinc/00/43/97/1409004397.db2.gz PPSJQQXISSQPMB-UHFFFAOYSA-N -1 1 382.493 3.051 20 10 GGCDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)c(C)n1-c1ccccn1 ZINC000068428179 1409399393 /nfs/dbraw/zinc/39/93/93/1409399393.db2.gz DBOSEHZGFXZZNA-UHFFFAOYSA-N -1 1 396.520 3.300 20 10 GGCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176696696 1428414704 /nfs/dbraw/zinc/41/47/04/1428414704.db2.gz HMJGAZALVYELPY-UHFFFAOYSA-N -1 1 386.470 3.087 20 10 GGCDMM Cc1cc(Br)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093903546 1410281614 /nfs/dbraw/zinc/28/16/14/1410281614.db2.gz HYSGSOUHQGJVIX-UHFFFAOYSA-N -1 1 399.266 3.087 20 10 GGCDMM Cc1ccc(Br)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094016727 1410292865 /nfs/dbraw/zinc/29/28/65/1410292865.db2.gz NOGSTJWGBOLUMI-UHFFFAOYSA-N -1 1 399.266 3.087 20 10 GGCDMM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000094036113 1410295939 /nfs/dbraw/zinc/29/59/39/1410295939.db2.gz KUNTYEJMQGSXSY-UHFFFAOYSA-N -1 1 376.478 3.338 20 10 GGCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000098094062 1410412828 /nfs/dbraw/zinc/41/28/28/1410412828.db2.gz IVAXFTHOXXGPPF-UHFFFAOYSA-N -1 1 378.831 3.076 20 10 GGCDMM Cc1noc([C@H]2CCC[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885253 1410804025 /nfs/dbraw/zinc/80/40/25/1410804025.db2.gz SFLXIWWROHHPOU-INIZCTEOSA-N -1 1 393.443 3.400 20 10 GGCDMM Cc1noc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885253 1410804026 /nfs/dbraw/zinc/80/40/26/1410804026.db2.gz SFLXIWWROHHPOU-INIZCTEOSA-N -1 1 393.443 3.400 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1[O-] ZINC000177116371 1428592129 /nfs/dbraw/zinc/59/21/29/1428592129.db2.gz AENNTGDUDJTSIO-UHFFFAOYSA-N -1 1 377.872 3.171 20 10 GGCDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc2C[C@@H]1C ZINC000111995230 1412064478 /nfs/dbraw/zinc/06/44/78/1412064478.db2.gz DMOMFPKPMAQKIS-HNNXBMFYSA-N -1 1 399.516 3.385 20 10 GGCDMM COc1ccc(O)c(CNC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000114543769 1412456077 /nfs/dbraw/zinc/45/60/77/1412456077.db2.gz SBUHKTXNUBLIOG-UHFFFAOYSA-N -1 1 398.488 3.337 20 10 GGCDMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc12 ZINC000120436798 1413817395 /nfs/dbraw/zinc/81/73/95/1413817395.db2.gz ILTRKUWYIIJAGJ-UHFFFAOYSA-N -1 1 387.248 3.090 20 10 GGCDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000122674492 1414535780 /nfs/dbraw/zinc/53/57/80/1414535780.db2.gz WRQFMKIUBHZRQL-UHFFFAOYSA-N -1 1 394.840 3.416 20 10 GGCDMM COCCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736989531 1429035120 /nfs/dbraw/zinc/03/51/20/1429035120.db2.gz DDATXCSMYQYKAP-UHFFFAOYSA-N -1 1 396.495 3.019 20 10 GGCDMM Cc1cc(C(=O)N(C)Cc2ccoc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737228150 1429488404 /nfs/dbraw/zinc/48/84/04/1429488404.db2.gz VPPJBOPUWZOJGZ-UHFFFAOYSA-N -1 1 376.420 3.139 20 10 GGCDMM Fc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1N1CCOCC1 ZINC000737643996 1423607045 /nfs/dbraw/zinc/60/70/45/1423607045.db2.gz JBAQKRMVWOKBDI-UHFFFAOYSA-N -1 1 388.834 3.108 20 10 GGCDMM CCCc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n[nH]1 ZINC000736496296 1423735229 /nfs/dbraw/zinc/73/52/29/1423735229.db2.gz CZXZHZRHKKIORK-UHFFFAOYSA-N -1 1 390.451 3.202 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC000825417398 1424423802 /nfs/dbraw/zinc/42/38/02/1424423802.db2.gz QTBZZVICCZYQJV-UHFFFAOYSA-N -1 1 382.443 3.090 20 10 GGCDMM CC(=O)c1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000824024621 1425025409 /nfs/dbraw/zinc/02/54/09/1425025409.db2.gz MPRFPGYYGNTQGF-UHFFFAOYSA-N -1 1 387.856 3.036 20 10 GGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820121669 1425398935 /nfs/dbraw/zinc/39/89/35/1425398935.db2.gz UPQDJKYYFOZOBO-UHFFFAOYSA-N -1 1 393.495 3.053 20 10 GGCDMM Cc1cc(C(=O)Nc2cnn(C(C)C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238117 1425806375 /nfs/dbraw/zinc/80/63/75/1425806375.db2.gz ITSOAWHRBUQDDR-UHFFFAOYSA-N -1 1 390.451 3.304 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc2c(c1)CCC2 ZINC000823504524 1426157975 /nfs/dbraw/zinc/15/79/75/1426157975.db2.gz QZAUHIJUSLDEOK-OQLLNIDSSA-N -1 1 395.469 3.354 20 10 GGCDMM Cc1cc(C(=O)OCc2cccc(C)n2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737397585 1426183376 /nfs/dbraw/zinc/18/33/76/1426183376.db2.gz YPSNRDVFDIRDPL-UHFFFAOYSA-N -1 1 388.431 3.335 20 10 GGCDMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000172858499 1426224043 /nfs/dbraw/zinc/22/40/43/1426224043.db2.gz BBIHMJLICYBGIC-HNNXBMFYSA-N -1 1 383.286 3.404 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc2c(c1)CCC2 ZINC000823504522 1426240594 /nfs/dbraw/zinc/24/05/94/1426240594.db2.gz QZAUHIJUSLDEOK-DHDCSXOGSA-N -1 1 395.469 3.354 20 10 GGCDMM COCCCCCOC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736978841 1426592111 /nfs/dbraw/zinc/59/21/11/1426592111.db2.gz MTHQKRXOLXTQFS-UHFFFAOYSA-N -1 1 383.452 3.248 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736531400 1426616710 /nfs/dbraw/zinc/61/67/10/1426616710.db2.gz GLMMWVVGFYKXLC-UHFFFAOYSA-N -1 1 396.520 3.121 20 10 GGCDMM Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)sn1 ZINC000822209338 1426723771 /nfs/dbraw/zinc/72/37/71/1426723771.db2.gz DKMXDCXZHUKOEN-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM Cc1cc(C(=O)NC[C@@H]2CC=CCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737235449 1426780364 /nfs/dbraw/zinc/78/03/64/1426780364.db2.gz VFFLYONDLMXZJB-MRXNPFEDSA-N -1 1 376.464 3.360 20 10 GGCDMM CCCN(CC(F)F)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736468477 1426879432 /nfs/dbraw/zinc/87/94/32/1426879432.db2.gz BTLXOPKNUKEVNZ-UHFFFAOYSA-N -1 1 388.422 3.392 20 10 GGCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812606 1427174867 /nfs/dbraw/zinc/17/48/67/1427174867.db2.gz OLAZKBNRQUCLSD-CLTKARDFSA-N -1 1 375.219 3.245 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CCCCC1 ZINC000823505133 1427175436 /nfs/dbraw/zinc/17/54/36/1427175436.db2.gz XOPNLAYPTYRCSK-XYOKQWHBSA-N -1 1 377.520 3.462 20 10 GGCDMM CN(C)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000736778096 1427214057 /nfs/dbraw/zinc/21/40/57/1427214057.db2.gz AFNJOCNPXTWBEJ-UHFFFAOYSA-N -1 1 381.337 3.098 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000174680664 1427306287 /nfs/dbraw/zinc/30/62/87/1427306287.db2.gz CBTLHQZCBJKRKQ-UHFFFAOYSA-N -1 1 388.367 3.121 20 10 GGCDMM Cc1cc(C(=O)Nc2cc(F)ccc2O)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822176587 1427638900 /nfs/dbraw/zinc/63/89/00/1427638900.db2.gz LQAVQSGHNGMQQG-UHFFFAOYSA-N -1 1 392.394 3.371 20 10 GGCDMM FC(F)(F)Oc1cccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826368592 1427780893 /nfs/dbraw/zinc/78/08/93/1427780893.db2.gz VNPSVJBYRPZFDG-UHFFFAOYSA-N -1 1 395.370 3.079 20 10 GGCDMM Cc1cc(C(=O)NCCCCOC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826259544 1427798641 /nfs/dbraw/zinc/79/86/41/1427798641.db2.gz WEJLHWWRAKYDBC-UHFFFAOYSA-N -1 1 396.495 3.209 20 10 GGCDMM Cc1cc(C(=O)N2Cc3ccccc3C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232997 1427852878 /nfs/dbraw/zinc/85/28/78/1427852878.db2.gz GPXCIEBNOKQGSO-UHFFFAOYSA-N -1 1 384.443 3.430 20 10 GGCDMM Cc1cc(C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232941 1428183020 /nfs/dbraw/zinc/18/30/20/1428183020.db2.gz GEYFOYVNVGXWGO-CQSZACIVSA-N -1 1 387.447 3.160 20 10 GGCDMM CC(C)C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877369 1431822931 /nfs/dbraw/zinc/82/29/31/1431822931.db2.gz PRJWVAVEXCGDMB-CABZTGNLSA-N -1 1 378.383 3.277 20 10 GGCDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[O-] ZINC000188582768 1431897173 /nfs/dbraw/zinc/89/71/73/1431897173.db2.gz FSYLKWHBOKWKGG-HNNXBMFYSA-N -1 1 387.386 3.264 20 10 GGCDMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cccc2nsnc21 ZINC000192834718 1432896806 /nfs/dbraw/zinc/89/68/06/1432896806.db2.gz QVHXDLOHUFCTAH-UHFFFAOYSA-N -1 1 381.389 3.306 20 10 GGCDMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000265898321 1434280065 /nfs/dbraw/zinc/28/00/65/1434280065.db2.gz NMPQMVYRFLJERD-UHFFFAOYSA-N -1 1 387.461 3.044 20 10 GGCDMM CC(C)(C)Oc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271251014 1434811000 /nfs/dbraw/zinc/81/10/00/1434811000.db2.gz JDZUNWMIKXVVGX-UHFFFAOYSA-N -1 1 378.450 3.193 20 10 GGCDMM COc1c([O-])c(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1[N+](=O)[O-] ZINC000278192427 1435368123 /nfs/dbraw/zinc/36/81/23/1435368123.db2.gz IFEQVHMLTLNCDK-LBPRGKRZSA-N -1 1 394.428 3.058 20 10 GGCDMM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)n1-c1ccccn1 ZINC000737242902 1441576995 /nfs/dbraw/zinc/57/69/95/1441576995.db2.gz QGKNGOXXJBTKTP-UHFFFAOYSA-N -1 1 392.394 3.165 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000736532408 1441876797 /nfs/dbraw/zinc/87/67/97/1441876797.db2.gz QRWHEKPBODEJFX-ZRDIBKRKSA-N -1 1 394.454 3.182 20 10 GGCDMM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000822293682 1442296626 /nfs/dbraw/zinc/29/66/26/1442296626.db2.gz HVJDXRCNNIYNSN-JYRVWZFOSA-N -1 1 383.458 3.482 20 10 GGCDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826497417 1442302639 /nfs/dbraw/zinc/30/26/39/1442302639.db2.gz GRFBAAHHTMHPOJ-UHFFFAOYSA-N -1 1 383.799 3.117 20 10 GGCDMM CSC(C)(C)CNC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821942378 1442328310 /nfs/dbraw/zinc/32/83/10/1442328310.db2.gz NFPIFZCWQKIEQL-UHFFFAOYSA-N -1 1 384.509 3.146 20 10 GGCDMM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccccc2O)c(-c2nnn[n-]2)c1 ZINC000826498468 1443070115 /nfs/dbraw/zinc/07/01/15/1443070115.db2.gz WJKTYMUWWNHZGW-UHFFFAOYSA-N -1 1 392.375 3.280 20 10 GGCDMM CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479252 1443139725 /nfs/dbraw/zinc/13/97/25/1443139725.db2.gz GAWBORYHEXRYOB-AWEZNQCLSA-N -1 1 380.452 3.255 20 10 GGCDMM Clc1ccc(N2CC=C(c3cnc4[nH]cccc3-4)CC2)nc1-c1nnn[n-]1 ZINC000737576420 1443371988 /nfs/dbraw/zinc/37/19/88/1443371988.db2.gz RCGNHOXZKZKQPX-UHFFFAOYSA-N -1 1 378.827 3.085 20 10 GGCDMM S=C(NNc1cc(Cl)ccc1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC000823731658 1443374932 /nfs/dbraw/zinc/37/49/32/1443374932.db2.gz ARKLYYUCBQYBIO-UHFFFAOYSA-N -1 1 380.264 3.487 20 10 GGCDMM Cc1cnc([C@@H](C)OC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)o1 ZINC000826317446 1443421485 /nfs/dbraw/zinc/42/14/85/1443421485.db2.gz CWYXTELCTPNNMG-CQSZACIVSA-N -1 1 392.419 3.489 20 10 GGCDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000826249090 1443476378 /nfs/dbraw/zinc/47/63/78/1443476378.db2.gz LIYVOCLLDBLHJE-UHFFFAOYSA-N -1 1 390.491 3.341 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000747472617 1443482068 /nfs/dbraw/zinc/48/20/68/1443482068.db2.gz YZXVFWRTLVEEDR-HXUWFJFHSA-N -1 1 386.459 3.435 20 10 GGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825434540 1443598134 /nfs/dbraw/zinc/59/81/34/1443598134.db2.gz ALQLTUDSGIEWQL-UHFFFAOYSA-N -1 1 384.871 3.248 20 10 GGCDMM Cc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826291881 1443784841 /nfs/dbraw/zinc/78/48/41/1443784841.db2.gz ZNOFBCNHAANDGW-UHFFFAOYSA-N -1 1 377.836 3.281 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197216 1443819234 /nfs/dbraw/zinc/81/92/34/1443819234.db2.gz HRKGVIAYPGCOSY-HNNXBMFYSA-N -1 1 393.495 3.273 20 10 GGCDMM Cc1cc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000765110076 1443875215 /nfs/dbraw/zinc/87/52/15/1443875215.db2.gz PWFDACHHKADLLA-HNNXBMFYSA-N -1 1 398.898 3.209 20 10 GGCDMM Cc1cc(C(=O)Nc2c(C)noc2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737534251 1443889365 /nfs/dbraw/zinc/88/93/65/1443889365.db2.gz JMTGJTRWWLFGTF-UHFFFAOYSA-N -1 1 377.408 3.131 20 10 GGCDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(Br)ccc1O ZINC000825627115 1446230447 /nfs/dbraw/zinc/23/04/47/1446230447.db2.gz UCXYRMHOKPOZTE-UHFFFAOYSA-N -1 1 390.241 3.346 20 10 GGCDMM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000822293683 1446383807 /nfs/dbraw/zinc/38/38/07/1446383807.db2.gz HVJDXRCNNIYNSN-MDWZMJQESA-N -1 1 383.458 3.482 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1-c1nnn[n-]1 ZINC000825553199 1446415326 /nfs/dbraw/zinc/41/53/26/1446415326.db2.gz MMIWTLFWQHFKMP-UHFFFAOYSA-N -1 1 388.815 3.406 20 10 GGCDMM Cc1cc(-c2nc(C3CCOCC3)no2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737222228 1449123614 /nfs/dbraw/zinc/12/36/14/1449123614.db2.gz VDSFOFGZEVFDRO-UHFFFAOYSA-N -1 1 391.435 3.218 20 10 GGCDMM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571044 1449259621 /nfs/dbraw/zinc/25/96/21/1449259621.db2.gz UYXCHRVFDGAJMG-VQLBTBKJSA-N -1 1 389.487 3.484 20 10 GGCDMM CS[C@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)C1 ZINC000821951307 1449508845 /nfs/dbraw/zinc/50/88/45/1449508845.db2.gz WEELXYZOELQSAJ-WBVHZDCISA-N -1 1 396.520 3.288 20 10 GGCDMM [O-]c1ccc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000738401215 1449657552 /nfs/dbraw/zinc/65/75/52/1449657552.db2.gz QCIJSAGFMAMXCT-UHFFFAOYSA-N -1 1 375.885 3.249 20 10 GGCDMM [O-]c1ccc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738401215 1449657556 /nfs/dbraw/zinc/65/75/56/1449657556.db2.gz QCIJSAGFMAMXCT-UHFFFAOYSA-N -1 1 375.885 3.249 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2cccc(OCC)c2O)cc1-c1nnn[n-]1 ZINC000825552603 1449739376 /nfs/dbraw/zinc/73/93/76/1449739376.db2.gz AVSXBLKVULKTIC-UHFFFAOYSA-N -1 1 398.423 3.152 20 10 GGCDMM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(N(C)C)c(F)c1 ZINC000822204636 1449828099 /nfs/dbraw/zinc/82/80/99/1449828099.db2.gz VMZNIIXPINZRKU-UHFFFAOYSA-N -1 1 395.417 3.102 20 10 GGCDMM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000822183327 1449891425 /nfs/dbraw/zinc/89/14/25/1449891425.db2.gz FZQNKDFBLSGHGQ-UHFFFAOYSA-N -1 1 392.394 3.165 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)CC1 ZINC000736279712 1450144013 /nfs/dbraw/zinc/14/40/13/1450144013.db2.gz LUYGWJXUWKBOGY-UHFFFAOYSA-N -1 1 382.493 3.095 20 10 GGCDMM Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822231895 1450189962 /nfs/dbraw/zinc/18/99/62/1450189962.db2.gz LLLFWNVRGGRNRS-UHFFFAOYSA-N -1 1 380.433 3.088 20 10 GGCDMM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000736781066 1450204479 /nfs/dbraw/zinc/20/44/79/1450204479.db2.gz WNVZDXKQGCQPOD-UHFFFAOYSA-N -1 1 379.855 3.168 20 10 GGCDMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000844939007 969248220 /nfs/dbraw/zinc/24/82/20/969248220.db2.gz YAMFHKPWMIQXHR-SNVBAGLBSA-N -1 1 381.064 3.212 20 10 GGCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001591756925 975830029 /nfs/dbraw/zinc/83/00/29/975830029.db2.gz PFPCGHSXPDXCTF-UHFFFAOYSA-N -1 1 385.825 3.332 20 10 GGCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(Cl)c1 ZINC000808113722 978851688 /nfs/dbraw/zinc/85/16/88/978851688.db2.gz HNWSEQUDPLHKIW-UHFFFAOYSA-N -1 1 380.180 3.337 20 10 GGCDMM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001597458151 987880658 /nfs/dbraw/zinc/88/06/58/987880658.db2.gz DXWHXDOLRIMKNH-UHFFFAOYSA-N -1 1 396.491 3.021 20 10 GGCDMM CSCC[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795072 988083239 /nfs/dbraw/zinc/08/32/39/988083239.db2.gz XGBVSPOUBTUAKQ-WFASDCNBSA-N -1 1 386.477 3.278 20 10 GGCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001590292436 989712018 /nfs/dbraw/zinc/71/20/18/989712018.db2.gz ZYQNBJIBCBMXLU-JNSHFYNHSA-N -1 1 398.887 3.236 20 10 GGCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001590292436 989712026 /nfs/dbraw/zinc/71/20/26/989712026.db2.gz ZYQNBJIBCBMXLU-JNSHFYNHSA-N -1 1 398.887 3.236 20 10 GGCDMM COc1ccc(N(C)CCN(C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001599584489 993594339 /nfs/dbraw/zinc/59/43/39/993594339.db2.gz UONRJZFFKSZMFO-UHFFFAOYSA-N -1 1 397.269 3.317 20 10 GGCDMM COc1ccc(N2CCN(Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cc1F ZINC001599586299 993618308 /nfs/dbraw/zinc/61/83/08/993618308.db2.gz OUGVJSIQBIISDW-UHFFFAOYSA-N -1 1 395.434 3.403 20 10 GGCDMM COc1ccc(O)c(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC001599598667 993783594 /nfs/dbraw/zinc/78/35/94/993783594.db2.gz PJPDSFVSZUXTLL-MRXNPFEDSA-N -1 1 392.249 3.175 20 10 GGCDMM COc1ccc(O)c(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC001599598666 993783992 /nfs/dbraw/zinc/78/39/92/993783992.db2.gz PJPDSFVSZUXTLL-INIZCTEOSA-N -1 1 392.249 3.175 20 10 GGCDMM COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC001599656361 994587200 /nfs/dbraw/zinc/58/72/00/994587200.db2.gz VJJGUZABTFGQJI-FQEVSTJZSA-N -1 1 375.396 3.222 20 10 GGCDMM COc1cc(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1OC ZINC001599390984 997035726 /nfs/dbraw/zinc/03/57/26/997035726.db2.gz FQLIMRFYLPRAIG-UHFFFAOYSA-N -1 1 379.840 3.458 20 10 GGCDMM COc1cc(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1OC ZINC001599390984 997035740 /nfs/dbraw/zinc/03/57/40/997035740.db2.gz FQLIMRFYLPRAIG-UHFFFAOYSA-N -1 1 379.840 3.458 20 10 GGCDMM COc1ccc([C@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599527818 997593912 /nfs/dbraw/zinc/59/39/12/997593912.db2.gz RELLNTRWTTYXSG-INIZCTEOSA-N -1 1 396.237 3.087 20 10 GGCDMM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001594167546 998646175 /nfs/dbraw/zinc/64/61/75/998646175.db2.gz QPPABYNMWSNQEB-GMSGAONNSA-N -1 1 393.075 3.212 20 10 GGCDMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc2nsnc21 ZINC000014255216 564280592 /nfs/dbraw/zinc/28/05/92/564280592.db2.gz OLOMADMOJOGOBE-UHFFFAOYSA-N -1 1 388.243 3.394 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C ZINC000055668426 564628506 /nfs/dbraw/zinc/62/85/06/564628506.db2.gz WFJMXMKNZVASBK-UHFFFAOYSA-N -1 1 386.470 3.005 20 10 GGCDMM CCCc1nc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000292000107 565091251 /nfs/dbraw/zinc/09/12/51/565091251.db2.gz ARJWSMKSGUTZCV-UHFFFAOYSA-N -1 1 382.258 3.403 20 10 GGCDMM COCCCn1cc(C)c(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000296703843 565331273 /nfs/dbraw/zinc/33/12/73/565331273.db2.gz BAVITZKLWXHNEZ-UHFFFAOYSA-N -1 1 397.273 3.018 20 10 GGCDMM Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277272484 565485698 /nfs/dbraw/zinc/48/56/98/565485698.db2.gz AFBRLJXGAHZWLZ-SECBINFHSA-N -1 1 382.258 3.190 20 10 GGCDMM Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277272489 565485930 /nfs/dbraw/zinc/48/59/30/565485930.db2.gz AFBRLJXGAHZWLZ-VIFPVBQESA-N -1 1 382.258 3.190 20 10 GGCDMM Cc1noc(C)c1[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277298120 565488097 /nfs/dbraw/zinc/48/80/97/565488097.db2.gz BWRJKXJWRPDLLH-SECBINFHSA-N -1 1 382.258 3.362 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]c1=O)CCCC2 ZINC000277406380 565494549 /nfs/dbraw/zinc/49/45/49/565494549.db2.gz BRPRMRJMNUATLP-UHFFFAOYSA-N -1 1 377.238 3.064 20 10 GGCDMM CCCc1noc(CCCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277432171 565497157 /nfs/dbraw/zinc/49/71/57/565497157.db2.gz DTFAZEVRLLROCW-UHFFFAOYSA-N -1 1 382.258 3.129 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])c1csc([C@@H]2CCCO2)n1 ZINC000277453812 565497722 /nfs/dbraw/zinc/49/77/22/565497722.db2.gz GKDYAUFEVHWIPT-LBPRGKRZSA-N -1 1 383.267 3.393 20 10 GGCDMM Cc1nn(C(F)F)c(C)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277561373 565506506 /nfs/dbraw/zinc/50/65/06/565506506.db2.gz PMLJCULIWRJLNX-UHFFFAOYSA-N -1 1 388.212 3.222 20 10 GGCDMM O=C(CCCNC(=O)c1ccsc1)NCc1cccc(Br)c1[O-] ZINC000277582229 565507561 /nfs/dbraw/zinc/50/75/61/565507561.db2.gz RNMFYKIZNMGODM-UHFFFAOYSA-N -1 1 397.294 3.043 20 10 GGCDMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277582104 565507923 /nfs/dbraw/zinc/50/79/23/565507923.db2.gz RMJDLCIIMJZACV-GXTWGEPZSA-N -1 1 397.313 3.056 20 10 GGCDMM COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1Br ZINC000278629582 565569798 /nfs/dbraw/zinc/56/97/98/565569798.db2.gz GSUJXJQOLQCEDK-UHFFFAOYSA-N -1 1 397.225 3.370 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000280201444 565658768 /nfs/dbraw/zinc/65/87/68/565658768.db2.gz VEZZAROUIDYQID-OAHLLOKOSA-N -1 1 392.249 3.252 20 10 GGCDMM CN(Cc1cnn(C)c1)Cc1cc(Br)cc(Br)c1[O-] ZINC000179601638 565992616 /nfs/dbraw/zinc/99/26/16/565992616.db2.gz QLGLWKABMZYVOR-UHFFFAOYSA-N -1 1 389.091 3.283 20 10 GGCDMM CC1(O)CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000180285509 566051028 /nfs/dbraw/zinc/05/10/28/566051028.db2.gz OZMWVQOBMUPSIW-UHFFFAOYSA-N -1 1 379.092 3.264 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@H](CO)C1 ZINC000183370881 566245517 /nfs/dbraw/zinc/24/55/17/566245517.db2.gz PJXVKNQMOCZOPN-VIFPVBQESA-N -1 1 379.092 3.122 20 10 GGCDMM COc1ccc(N2CCC(Nc3snc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000737099423 598353045 /nfs/dbraw/zinc/35/30/45/598353045.db2.gz NDGXYRVBHPVYOB-UHFFFAOYSA-N -1 1 391.888 3.066 20 10 GGCDMM COc1ccc(N2CCC(Nc3snc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000737099423 598353047 /nfs/dbraw/zinc/35/30/47/598353047.db2.gz NDGXYRVBHPVYOB-UHFFFAOYSA-N -1 1 391.888 3.066 20 10 GGCDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822176970 599329539 /nfs/dbraw/zinc/32/95/39/599329539.db2.gz QSZHIMGKBOCRSD-UHFFFAOYSA-N -1 1 392.394 3.371 20 10 GGCDMM COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000738004067 600142762 /nfs/dbraw/zinc/14/27/62/600142762.db2.gz ONGUZAFHIHASBX-UHFFFAOYSA-N -1 1 380.784 3.049 20 10 GGCDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000738004067 600142765 /nfs/dbraw/zinc/14/27/65/600142765.db2.gz ONGUZAFHIHASBX-UHFFFAOYSA-N -1 1 380.784 3.049 20 10 GGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000825946527 601151142 /nfs/dbraw/zinc/15/11/42/601151142.db2.gz CQQZXLXKQDIGLU-OAHLLOKOSA-N -1 1 396.212 3.412 20 10 GGCDMM Cc1cc(C(=O)CN(C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859790 601594186 /nfs/dbraw/zinc/59/41/86/601594186.db2.gz XAKKRJHHPOCHNB-KRWDZBQOSA-N -1 1 396.487 3.476 20 10 GGCDMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000833183000 604747834 /nfs/dbraw/zinc/74/78/34/604747834.db2.gz MPOMDGKVBRKVDR-JJRVBVJISA-N -1 1 394.899 3.017 20 10 GGCDMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000833183001 604747894 /nfs/dbraw/zinc/74/78/94/604747894.db2.gz MPOMDGKVBRKVDR-VBQJREDUSA-N -1 1 394.899 3.017 20 10 GGCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000833553595 605246845 /nfs/dbraw/zinc/24/68/45/605246845.db2.gz FXDHZVVGHBSDBL-CYBMUJFWSA-N -1 1 393.075 3.214 20 10 GGCDMM O=C(CSc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000826420172 609451562 /nfs/dbraw/zinc/45/15/62/609451562.db2.gz BLGOTESUSGUQBS-UHFFFAOYSA-N -1 1 396.350 3.272 20 10 GGCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000063849031 1408427269 /nfs/dbraw/zinc/42/72/69/1408427269.db2.gz JMOQTNYAAKLIPB-UHFFFAOYSA-N -1 1 386.470 3.087 20 10 GGCDMM COc1cccc(CNC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1O ZINC000068488435 1409417352 /nfs/dbraw/zinc/41/73/52/1409417352.db2.gz YJPICUMBGQTJHR-UHFFFAOYSA-N -1 1 398.488 3.337 20 10 GGCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000096743398 1410335932 /nfs/dbraw/zinc/33/59/32/1410335932.db2.gz SUJGSYQWYFUEJB-UHFFFAOYSA-N -1 1 392.252 3.024 20 10 GGCDMM CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295418 1411466726 /nfs/dbraw/zinc/46/67/26/1411466726.db2.gz UJFXPIVTYHOBLR-UHFFFAOYSA-N -1 1 387.553 3.446 20 10 GGCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1F ZINC000111995330 1412064458 /nfs/dbraw/zinc/06/44/58/1412064458.db2.gz WOZBFWUIXQEJBL-UHFFFAOYSA-N -1 1 392.452 3.403 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c1[O-] ZINC000177266444 1428661704 /nfs/dbraw/zinc/66/17/04/1428661704.db2.gz MUPHWQFKTJDXKO-UHFFFAOYSA-N -1 1 390.867 3.416 20 10 GGCDMM C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617586 1428740004 /nfs/dbraw/zinc/74/00/04/1428740004.db2.gz IEXZFMUPXBTKQZ-AWEZNQCLSA-N -1 1 398.511 3.410 20 10 GGCDMM C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617586 1428740007 /nfs/dbraw/zinc/74/00/07/1428740007.db2.gz IEXZFMUPXBTKQZ-AWEZNQCLSA-N -1 1 398.511 3.410 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC(=O)c2ccco2)c1[O-] ZINC000121010146 1413976068 /nfs/dbraw/zinc/97/60/68/1413976068.db2.gz QIECWBGTYKSXPV-HNNXBMFYSA-N -1 1 377.824 3.315 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000123895617 1414845086 /nfs/dbraw/zinc/84/50/86/1414845086.db2.gz HGDYCXBXOQXHCF-UHFFFAOYSA-N -1 1 376.478 3.327 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000736532407 1428968686 /nfs/dbraw/zinc/96/86/86/1428968686.db2.gz QRWHEKPBODEJFX-BENRWUELSA-N -1 1 394.454 3.182 20 10 GGCDMM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736481105 1429123256 /nfs/dbraw/zinc/12/32/56/1429123256.db2.gz UGFYWNPRNVETGS-UHFFFAOYSA-N -1 1 382.424 3.025 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179541328 1429418502 /nfs/dbraw/zinc/41/85/02/1429418502.db2.gz IXZVKAOFAMZBIQ-UHFFFAOYSA-N -1 1 399.472 3.008 20 10 GGCDMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000179540688 1429418620 /nfs/dbraw/zinc/41/86/20/1429418620.db2.gz ZJAVLGOOVHDFPQ-UHFFFAOYSA-N -1 1 399.472 3.008 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000179620877 1429474716 /nfs/dbraw/zinc/47/47/16/1429474716.db2.gz QMGYOFCEHSIXIN-UHFFFAOYSA-N -1 1 388.367 3.121 20 10 GGCDMM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)CCS1 ZINC000820989006 1429502135 /nfs/dbraw/zinc/50/21/35/1429502135.db2.gz KERLGAMYBMOJQZ-KRWDZBQOSA-N -1 1 396.520 3.242 20 10 GGCDMM CN(C)c1ccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000825879213 1423259481 /nfs/dbraw/zinc/25/94/81/1423259481.db2.gz JLNBADMQLZOTDT-MRXNPFEDSA-N -1 1 376.386 3.326 20 10 GGCDMM Clc1nsc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000826351668 1424236530 /nfs/dbraw/zinc/23/65/30/1424236530.db2.gz VLYVOPYXFCFUPK-UHFFFAOYSA-N -1 1 380.264 3.319 20 10 GGCDMM COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1-c1nnn[n-]1 ZINC000737083127 1424521195 /nfs/dbraw/zinc/52/11/95/1424521195.db2.gz NHMRZBBYZXAWFP-GDNBJRDFSA-N -1 1 395.469 3.281 20 10 GGCDMM CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821615881 1424593706 /nfs/dbraw/zinc/59/37/06/1424593706.db2.gz SHPBJRBJSUNXBJ-UHFFFAOYSA-N -1 1 392.341 3.255 20 10 GGCDMM Cc1cc(C(=O)N2CC3(C2)CC(F)(F)C3)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257571 1425070471 /nfs/dbraw/zinc/07/04/71/1425070471.db2.gz HOCRSPFUFJWRGO-UHFFFAOYSA-N -1 1 398.417 3.146 20 10 GGCDMM CCCn1nccc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736502094 1425189652 /nfs/dbraw/zinc/18/96/52/1425189652.db2.gz JUKSRBLWVURFHR-UHFFFAOYSA-N -1 1 390.451 3.133 20 10 GGCDMM C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820366332 1425243015 /nfs/dbraw/zinc/24/30/15/1425243015.db2.gz NFSQOCVVUKQXDE-ZDUSSCGKSA-N -1 1 392.463 3.012 20 10 GGCDMM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571323 1425313108 /nfs/dbraw/zinc/31/31/08/1425313108.db2.gz YEQDTUCPEMSXPM-AHEVQNHNSA-N -1 1 383.458 3.422 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232621 1425349567 /nfs/dbraw/zinc/34/95/67/1425349567.db2.gz CKRLTTYWZONPIV-AWEZNQCLSA-N -1 1 387.447 3.160 20 10 GGCDMM CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109701 1425468887 /nfs/dbraw/zinc/46/88/87/1425468887.db2.gz MWWDDNXAUHJLLG-CQSZACIVSA-N -1 1 380.452 3.255 20 10 GGCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000732087731 1425503811 /nfs/dbraw/zinc/50/38/11/1425503811.db2.gz CFFIEYNAAFYTON-UHFFFAOYSA-N -1 1 378.461 3.266 20 10 GGCDMM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)cc(Br)c1O ZINC000826186468 1426012398 /nfs/dbraw/zinc/01/23/98/1426012398.db2.gz UEXYGBBFOMCQPC-UHFFFAOYSA-N -1 1 390.241 3.264 20 10 GGCDMM Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232967 1426098708 /nfs/dbraw/zinc/09/87/08/1426098708.db2.gz GGFAGNLTUQYTMJ-HIFRSBDPSA-N -1 1 396.520 3.240 20 10 GGCDMM CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222705 1426946254 /nfs/dbraw/zinc/94/62/54/1426946254.db2.gz XLKIDUYQSMILDJ-GFCCVEGCSA-N -1 1 383.427 3.497 20 10 GGCDMM CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222705 1426946259 /nfs/dbraw/zinc/94/62/59/1426946259.db2.gz XLKIDUYQSMILDJ-GFCCVEGCSA-N -1 1 383.427 3.497 20 10 GGCDMM COc1ccc2[nH]cc(C3=CCN(c4nc(C)ccc4-c4nnn[n-]4)CC3)c2c1 ZINC000821845923 1426982294 /nfs/dbraw/zinc/98/22/94/1426982294.db2.gz LYYZJOSPMMJMPL-UHFFFAOYSA-N -1 1 387.447 3.354 20 10 GGCDMM O=C1C(=Cc2ccc([O-])c(Br)c2)NC(=S)N1Cc1ccccc1 ZINC000174587485 1427243340 /nfs/dbraw/zinc/24/33/40/1427243340.db2.gz MSZRHFACJHZPFQ-NTEUORMPSA-N -1 1 389.274 3.413 20 10 GGCDMM Cc1cc(C(=O)NCc2ccc(F)cc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236999 1427330439 /nfs/dbraw/zinc/33/04/39/1427330439.db2.gz YGEGWQWLLUCDSP-UHFFFAOYSA-N -1 1 390.422 3.343 20 10 GGCDMM c1cc(N2CCCC2)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826517051 1427971896 /nfs/dbraw/zinc/97/18/96/1427971896.db2.gz NPFAYFAEBPPNGD-UHFFFAOYSA-N -1 1 375.480 3.353 20 10 GGCDMM Cc1cc(C(=O)OCc2cscn2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737242327 1427975043 /nfs/dbraw/zinc/97/50/43/1427975043.db2.gz NVLJONAAIIYNKT-UHFFFAOYSA-N -1 1 380.433 3.088 20 10 GGCDMM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571325 1427998149 /nfs/dbraw/zinc/99/81/49/1427998149.db2.gz YEQDTUCPEMSXPM-RSYJBZMQSA-N -1 1 383.458 3.422 20 10 GGCDMM CC1CCN(c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)CC1 ZINC000820727798 1428139013 /nfs/dbraw/zinc/13/90/13/1428139013.db2.gz PGDFDLLUGXAWFD-UHFFFAOYSA-N -1 1 394.439 3.018 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000176212124 1428171030 /nfs/dbraw/zinc/17/10/30/1428171030.db2.gz ALFDSMAAWPEHCK-UHFFFAOYSA-N -1 1 376.434 3.070 20 10 GGCDMM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000736779560 1429794207 /nfs/dbraw/zinc/79/42/07/1429794207.db2.gz JTEIJVSNXKYGSY-UHFFFAOYSA-N -1 1 381.390 3.371 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000822168785 1429955425 /nfs/dbraw/zinc/95/54/25/1429955425.db2.gz SFZCGRYRYJLONE-AWEZNQCLSA-N -1 1 387.447 3.160 20 10 GGCDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc21 ZINC000187060461 1431602798 /nfs/dbraw/zinc/60/27/98/1431602798.db2.gz LHBJZIMXDSOPOQ-UHFFFAOYSA-N -1 1 388.489 3.417 20 10 GGCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000187705233 1431802000 /nfs/dbraw/zinc/80/20/00/1431802000.db2.gz UZWKTWXJTFJXDR-FQEVSTJZSA-N -1 1 379.460 3.151 20 10 GGCDMM CC(C)C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877453 1431823200 /nfs/dbraw/zinc/82/32/00/1431823200.db2.gz PRJWVAVEXCGDMB-BXKDBHETSA-N -1 1 378.383 3.277 20 10 GGCDMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc2nsnc21 ZINC000192832943 1432896483 /nfs/dbraw/zinc/89/64/83/1432896483.db2.gz UAKGAPJOJLFTAU-UHFFFAOYSA-N -1 1 378.454 3.231 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194645116 1433210496 /nfs/dbraw/zinc/21/04/96/1433210496.db2.gz CYJMBZWCQZFWHX-UHFFFAOYSA-N -1 1 376.478 3.327 20 10 GGCDMM O=C(c1ccc(NCc2cccc(Br)c2[O-])cc1)N1CCOCC1 ZINC000195094525 1433291408 /nfs/dbraw/zinc/29/14/08/1433291408.db2.gz LTLZNZUDQFRBSF-UHFFFAOYSA-N -1 1 391.265 3.239 20 10 GGCDMM C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273377057 1434984401 /nfs/dbraw/zinc/98/44/01/1434984401.db2.gz HMJOJAFMHCNHTG-SECBINFHSA-N -1 1 381.314 3.213 20 10 GGCDMM CSCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393006 1434985964 /nfs/dbraw/zinc/98/59/64/1434985964.db2.gz LCKMSJPIAPIJOB-WFASDCNBSA-N -1 1 387.465 3.488 20 10 GGCDMM COc1c([O-])c(CN2CCc3c(ncn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278514918 1435396388 /nfs/dbraw/zinc/39/63/88/1435396388.db2.gz QOPIBLOKLUWWET-UHFFFAOYSA-N -1 1 380.404 3.053 20 10 GGCDMM C[C@H]1CN(c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2F)C[C@H](C)O1 ZINC000280822509 1435725982 /nfs/dbraw/zinc/72/59/82/1435725982.db2.gz RUWTZBHEXAGKNL-RYUDHWBXSA-N -1 1 394.393 3.353 20 10 GGCDMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280846682 1435729936 /nfs/dbraw/zinc/72/99/36/1435729936.db2.gz ZCASKBVKZAZLSG-GFCCVEGCSA-N -1 1 376.840 3.339 20 10 GGCDMM Cc1cc(C(=O)N2CCC[C@H]2C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233457 1441448864 /nfs/dbraw/zinc/44/88/64/1441448864.db2.gz FZTDZCHFNMCSMU-IBGZPJMESA-N -1 1 376.464 3.289 20 10 GGCDMM C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373251 1441545732 /nfs/dbraw/zinc/54/57/32/1441545732.db2.gz GXJBZABEXGSHEN-HNNXBMFYSA-N -1 1 391.479 3.027 20 10 GGCDMM CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222707 1441557151 /nfs/dbraw/zinc/55/71/51/1441557151.db2.gz XLKIDUYQSMILDJ-LBPRGKRZSA-N -1 1 383.427 3.497 20 10 GGCDMM CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222707 1441557155 /nfs/dbraw/zinc/55/71/55/1441557155.db2.gz XLKIDUYQSMILDJ-LBPRGKRZSA-N -1 1 383.427 3.497 20 10 GGCDMM Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1-c1nnn[n-]1 ZINC000826312935 1441851859 /nfs/dbraw/zinc/85/18/59/1441851859.db2.gz RRRUXWORIHRWTG-OAHLLOKOSA-N -1 1 399.886 3.006 20 10 GGCDMM Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1-c1nnn[n-]1 ZINC000826312935 1441851862 /nfs/dbraw/zinc/85/18/62/1441851862.db2.gz RRRUXWORIHRWTG-OAHLLOKOSA-N -1 1 399.886 3.006 20 10 GGCDMM CCOc1ccc(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000821422488 1441925454 /nfs/dbraw/zinc/92/54/54/1441925454.db2.gz XFMLRAMZRBLGPZ-UHFFFAOYSA-N -1 1 386.481 3.019 20 10 GGCDMM COc1ccc(N(Cc2ccco2)Cc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000826208893 1441931511 /nfs/dbraw/zinc/93/15/11/1441931511.db2.gz DXVKAZNIDNQTIX-UHFFFAOYSA-N -1 1 380.383 3.209 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2cc(OCC)ccc2O)cc1-c1nnn[n-]1 ZINC000825552782 1442109326 /nfs/dbraw/zinc/10/93/26/1442109326.db2.gz DVTGDYHZJRZNPG-UHFFFAOYSA-N -1 1 398.423 3.152 20 10 GGCDMM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000745466191 1442195157 /nfs/dbraw/zinc/19/51/57/1442195157.db2.gz SEXHVHUPGGTORB-UHFFFAOYSA-N -1 1 390.422 3.343 20 10 GGCDMM Cc1cc(C(=O)NCC(C2CC2)C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822167746 1443192738 /nfs/dbraw/zinc/19/27/38/1443192738.db2.gz HLAOOHSTVNEQTG-UHFFFAOYSA-N -1 1 390.491 3.440 20 10 GGCDMM Cc1cc(C(=O)OCc2scnc2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737502760 1443319989 /nfs/dbraw/zinc/31/99/89/1443319989.db2.gz JFLBZLAGDXYXOO-UHFFFAOYSA-N -1 1 394.460 3.396 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1ccccc1 ZINC000823503169 1443325038 /nfs/dbraw/zinc/32/50/38/1443325038.db2.gz CHWABZORQXAKHK-JYRVWZFOSA-N -1 1 385.499 3.330 20 10 GGCDMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000747471443 1443528900 /nfs/dbraw/zinc/52/89/00/1443528900.db2.gz SIATTYZXTNVXMI-IBGZPJMESA-N -1 1 390.422 3.266 20 10 GGCDMM Fc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000826375272 1443642793 /nfs/dbraw/zinc/64/27/93/1443642793.db2.gz GSAHHPUJKMXHDM-UHFFFAOYSA-N -1 1 381.799 3.112 20 10 GGCDMM Cc1cc(-c2nc(-c3cccnc3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737221124 1443877505 /nfs/dbraw/zinc/87/75/05/1443877505.db2.gz FVDRZPYDMWGXFT-UHFFFAOYSA-N -1 1 384.403 3.386 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccc(F)cc1 ZINC000823504934 1444008265 /nfs/dbraw/zinc/00/82/65/1444008265.db2.gz VTRQQWLEFNRCBO-SDQBBNPISA-N -1 1 389.462 3.473 20 10 GGCDMM CCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736525034 1446116807 /nfs/dbraw/zinc/11/68/07/1446116807.db2.gz YOOPOQYOSMZJED-UHFFFAOYSA-N -1 1 392.385 3.299 20 10 GGCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826336332 1446236021 /nfs/dbraw/zinc/23/60/21/1446236021.db2.gz UTOFHYZPLPFLAP-UHFFFAOYSA-N -1 1 386.463 3.357 20 10 GGCDMM CN(C)c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736773343 1446272887 /nfs/dbraw/zinc/27/28/87/1446272887.db2.gz KWGRJJZDCJVYES-UHFFFAOYSA-N -1 1 379.424 3.010 20 10 GGCDMM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)SC(=S)N1c1ccccc1 ZINC000826475405 1446332487 /nfs/dbraw/zinc/33/24/87/1446332487.db2.gz FQSGSZRIJHSICC-ZROIWOOFSA-N -1 1 383.433 3.412 20 10 GGCDMM CN(C)c1ccc(CN(Cc2ccco2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821589631 1446666813 /nfs/dbraw/zinc/66/68/13/1446666813.db2.gz WSALDNQCOPIQRQ-UHFFFAOYSA-N -1 1 375.436 3.128 20 10 GGCDMM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569823 1446675000 /nfs/dbraw/zinc/67/50/00/1446675000.db2.gz XFGXWZHUNDQOLN-VURMDHGXSA-N -1 1 386.456 3.436 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1-c1ccccc1C ZINC000747470940 1446698336 /nfs/dbraw/zinc/69/83/36/1446698336.db2.gz PZEZPBVYDLFCPR-HXUWFJFHSA-N -1 1 386.459 3.435 20 10 GGCDMM Cc1cnc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000737445830 1446830715 /nfs/dbraw/zinc/83/07/15/1446830715.db2.gz KHRVWKFDNYEPOU-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000820727715 1447077039 /nfs/dbraw/zinc/07/70/39/1447077039.db2.gz OCXZRFSAULYNOR-UHFFFAOYSA-N -1 1 382.493 3.095 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1cccs1 ZINC000738288721 1447222382 /nfs/dbraw/zinc/22/23/82/1447222382.db2.gz DXOCIYBVZHBYIE-UVTDQMKNSA-N -1 1 399.526 3.372 20 10 GGCDMM Cc1cc(C(=O)NCc2ccsc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236894 1447304762 /nfs/dbraw/zinc/30/47/62/1447304762.db2.gz UAQBJRXYWBJNPT-UHFFFAOYSA-N -1 1 378.461 3.266 20 10 GGCDMM CN(C)c1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000821589677 1449353473 /nfs/dbraw/zinc/35/34/73/1449353473.db2.gz YLILLLJPWLLWEN-UHFFFAOYSA-N -1 1 389.822 3.047 20 10 GGCDMM Cc1cc(C(=O)NC[C@H]2Cc3ccccc32)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737235217 1449446102 /nfs/dbraw/zinc/44/61/02/1449446102.db2.gz RDVGWVXNWNMPKG-GOSISDBHSA-N -1 1 398.470 3.344 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc3nccn3c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238641 1449992060 /nfs/dbraw/zinc/99/20/60/1449992060.db2.gz QSSBWBDWVSUXHQ-UHFFFAOYSA-N -1 1 398.430 3.174 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(F)cc1F ZINC000823503572 1450144189 /nfs/dbraw/zinc/14/41/89/1450144189.db2.gz HHLZZHMFDVUYGE-SDQBBNPISA-N -1 1 391.384 3.144 20 10 GGCDMM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820703461 1450201197 /nfs/dbraw/zinc/20/11/97/1450201197.db2.gz FTCWQQLYSGTUHI-QMNRKCHLSA-N -1 1 375.479 3.240 20 10 GGCDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000826249361 1450219728 /nfs/dbraw/zinc/21/97/28/1450219728.db2.gz YUBOWSJKJWEDMS-UHFFFAOYSA-N -1 1 376.464 3.095 20 10 GGCDMM CC(C)(C)c1cnc(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965863 1450425497 /nfs/dbraw/zinc/42/54/97/1450425497.db2.gz PXOWQDDCAVJWOP-LBPRGKRZSA-N -1 1 391.522 3.153 20 10 GGCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])C[C@H]1c1ccccc1 ZINC001595191232 952283224 /nfs/dbraw/zinc/28/32/24/952283224.db2.gz GRBOZHBSKNSBLS-JKSUJKDBSA-N -1 1 376.250 3.455 20 10 GGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])C[C@H]1c1ccccc1 ZINC001595191232 952283230 /nfs/dbraw/zinc/28/32/30/952283230.db2.gz GRBOZHBSKNSBLS-JKSUJKDBSA-N -1 1 376.250 3.455 20 10 GGCDMM CN1CCCc2cc(CNCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)ccc21 ZINC001574029093 961989267 /nfs/dbraw/zinc/98/92/67/961989267.db2.gz BAHGFKUKJBDZJR-GOSISDBHSA-N -1 1 383.492 3.253 20 10 GGCDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000268014409 962763434 /nfs/dbraw/zinc/76/34/34/962763434.db2.gz SCTGEBXLHCHANU-UHFFFAOYSA-N -1 1 379.434 3.332 20 10 GGCDMM O=C([O-])C[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC1CC1 ZINC000844934305 969247796 /nfs/dbraw/zinc/24/77/96/969247796.db2.gz AOJMKIPCIMPQOA-UHFFFAOYSA-N -1 1 393.075 3.214 20 10 GGCDMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001591711123 975591993 /nfs/dbraw/zinc/59/19/93/975591993.db2.gz IVDAHLAXQZAHSE-GFCCVEGCSA-N -1 1 380.666 3.118 20 10 GGCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708089424 977415825 /nfs/dbraw/zinc/41/58/25/977415825.db2.gz MEYDSSIZKVCJGP-SNVBAGLBSA-N -1 1 380.691 3.200 20 10 GGCDMM O=C([O-])/C=C\c1ccc(N2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796553424 978832954 /nfs/dbraw/zinc/83/29/54/978832954.db2.gz FAOGPGCQHNTNEE-CLFYSBASSA-N -1 1 381.432 3.057 20 10 GGCDMM O=C([O-])/C=C/c1ccc(N2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796553425 978833292 /nfs/dbraw/zinc/83/32/92/978833292.db2.gz FAOGPGCQHNTNEE-VQHVLOKHSA-N -1 1 381.432 3.057 20 10 GGCDMM O=C([O-])c1ccc(CNCc2c(O)cccc2Br)nc1C1CC1 ZINC000864514295 979941290 /nfs/dbraw/zinc/94/12/90/979941290.db2.gz RXEJPEAFHRFSLY-UHFFFAOYSA-N -1 1 377.238 3.415 20 10 GGCDMM CCCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccccc1O ZINC001595846243 982771894 /nfs/dbraw/zinc/77/18/94/982771894.db2.gz NVSTWPDPYGTURO-UHFFFAOYSA-N -1 1 388.489 3.491 20 10 GGCDMM CCOCCC[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H](C)C(=O)[O-] ZINC001596914810 985935627 /nfs/dbraw/zinc/93/56/27/985935627.db2.gz KLQLSQHLSSZEFS-NSHDSACASA-N -1 1 392.265 3.243 20 10 GGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001589267789 985949852 /nfs/dbraw/zinc/94/98/52/985949852.db2.gz IXWRPAIDPGRLDK-ZWKOTPCHSA-N -1 1 389.835 3.254 20 10 GGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001589267789 985949870 /nfs/dbraw/zinc/94/98/70/985949870.db2.gz IXWRPAIDPGRLDK-ZWKOTPCHSA-N -1 1 389.835 3.254 20 10 GGCDMM CSCC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795071 988083051 /nfs/dbraw/zinc/08/30/51/988083051.db2.gz XGBVSPOUBTUAKQ-SWLSCSKDSA-N -1 1 386.477 3.278 20 10 GGCDMM CSCC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795070 988083740 /nfs/dbraw/zinc/08/37/40/988083740.db2.gz XGBVSPOUBTUAKQ-IUODEOHRSA-N -1 1 386.477 3.278 20 10 GGCDMM C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001598523419 992687549 /nfs/dbraw/zinc/68/75/49/992687549.db2.gz FGJXQBPPVRYVAR-UHFFFAOYSA-N -1 1 380.238 3.250 20 10 GGCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001598523419 992687553 /nfs/dbraw/zinc/68/75/53/992687553.db2.gz FGJXQBPPVRYVAR-UHFFFAOYSA-N -1 1 380.238 3.250 20 10 GGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001591596883 992826175 /nfs/dbraw/zinc/82/61/75/992826175.db2.gz STBRFOCWAZUDOS-UHFFFAOYSA-N -1 1 381.476 3.275 20 10 GGCDMM COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC001599656362 994586618 /nfs/dbraw/zinc/58/66/18/994586618.db2.gz VJJGUZABTFGQJI-HXUWFJFHSA-N -1 1 375.396 3.222 20 10 GGCDMM C[C@H](Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC001593649230 996001053 /nfs/dbraw/zinc/00/10/53/996001053.db2.gz QCDSEKOVSZKFQO-NSHDSACASA-N -1 1 380.238 3.296 20 10 GGCDMM COC1CCN(c2ccc(CN3CCOc4c(cccc4C(=O)[O-])C3)cc2)CC1 ZINC001599127669 997881872 /nfs/dbraw/zinc/88/18/72/997881872.db2.gz WJJWGVGAJGVALB-UHFFFAOYSA-N -1 1 396.487 3.395 20 10 GGCDMM COc1ccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c(O)c1OC ZINC001599561810 998211080 /nfs/dbraw/zinc/21/10/80/998211080.db2.gz OEVMPFYREVEGNM-LBPRGKRZSA-N -1 1 378.450 3.210 20 10 GGCDMM O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000009495900 221082399 /nfs/dbraw/zinc/08/23/99/221082399.db2.gz JMXKIYPMGAPZFH-UHFFFAOYSA-N -1 1 378.413 3.202 20 10 GGCDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000057785377 564674429 /nfs/dbraw/zinc/67/44/29/564674429.db2.gz JOUXRIGFVIOXPB-UHFFFAOYSA-N -1 1 382.854 3.104 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1[O-] ZINC000186535992 565267558 /nfs/dbraw/zinc/26/75/58/565267558.db2.gz JWUQKWDKOINZDP-UHFFFAOYSA-N -1 1 379.865 3.038 20 10 GGCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(CC3CC3)no2)c1)c1cccs1 ZINC000273480341 565322632 /nfs/dbraw/zinc/32/26/32/565322632.db2.gz SIPHXTDYAXVHIG-UHFFFAOYSA-N -1 1 377.447 3.257 20 10 GGCDMM CCN(Cc1cc(Br)ccc1O)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297617243 565378966 /nfs/dbraw/zinc/37/89/66/565378966.db2.gz AMMGJALVSIHSCM-UHFFFAOYSA-N -1 1 396.289 3.128 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])c1csc([C@H]2CCCO2)n1 ZINC000277453809 565498005 /nfs/dbraw/zinc/49/80/05/565498005.db2.gz GKDYAUFEVHWIPT-GFCCVEGCSA-N -1 1 383.267 3.393 20 10 GGCDMM O=C(CCc1nc(C2CCCC2)no1)NCc1cccc(Br)c1[O-] ZINC000277545168 565505919 /nfs/dbraw/zinc/50/59/19/565505919.db2.gz NPAPGYWSSCDFJH-UHFFFAOYSA-N -1 1 394.269 3.444 20 10 GGCDMM O=C(CCSCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000277602591 565508580 /nfs/dbraw/zinc/50/85/80/565508580.db2.gz UIVFDMFUFHPRKY-UHFFFAOYSA-N -1 1 381.295 3.489 20 10 GGCDMM O=C(C[C@@H]1OCCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000277608876 565509789 /nfs/dbraw/zinc/50/97/89/565509789.db2.gz UZWXBUUFCKBGQK-INIZCTEOSA-N -1 1 376.250 3.475 20 10 GGCDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000277754748 565518476 /nfs/dbraw/zinc/51/84/76/565518476.db2.gz NRUGEEZUYWRFFY-CYBMUJFWSA-N -1 1 383.242 3.243 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](CCCO)c1ccccc1 ZINC000277791647 565520815 /nfs/dbraw/zinc/52/08/15/565520815.db2.gz SGYQSUXWOXGDFV-MRXNPFEDSA-N -1 1 393.281 3.468 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(O[C@H]2CCOC2)cc1 ZINC000280201438 565658630 /nfs/dbraw/zinc/65/86/30/565658630.db2.gz VEZZAROUIDYQID-HNNXBMFYSA-N -1 1 392.249 3.252 20 10 GGCDMM O=C(NCc1noc2c1CCCC2)NCc1cccc(Br)c1[O-] ZINC000288175436 566060923 /nfs/dbraw/zinc/06/09/23/566060923.db2.gz PWWDJCYDOQZECU-UHFFFAOYSA-N -1 1 380.242 3.021 20 10 GGCDMM Cc1cc(=O)cc(C)n1CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000290434650 566171827 /nfs/dbraw/zinc/17/18/27/566171827.db2.gz NGQWZSMSDBCKJJ-UHFFFAOYSA-N -1 1 393.281 3.030 20 10 GGCDMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cccc2nsnc21 ZINC000579254139 566594006 /nfs/dbraw/zinc/59/40/06/566594006.db2.gz OKUWRVSPWUIQCM-UHFFFAOYSA-N -1 1 375.353 3.233 20 10 GGCDMM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571039 599311256 /nfs/dbraw/zinc/31/12/56/599311256.db2.gz UYXCHRVFDGAJMG-HLPMDPMVSA-N -1 1 389.487 3.484 20 10 GGCDMM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000820571039 599311259 /nfs/dbraw/zinc/31/12/59/599311259.db2.gz UYXCHRVFDGAJMG-HLPMDPMVSA-N -1 1 389.487 3.484 20 10 GGCDMM Cc1ccc(F)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822239801 599311410 /nfs/dbraw/zinc/31/14/10/599311410.db2.gz FDEYYYJVXBCSOS-NTUHNPAUSA-N -1 1 387.421 3.313 20 10 GGCDMM Cc1ccc(F)c(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000822239801 599311411 /nfs/dbraw/zinc/31/14/11/599311411.db2.gz FDEYYYJVXBCSOS-NTUHNPAUSA-N -1 1 387.421 3.313 20 10 GGCDMM Cc1ccnc(NC[C@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738798926 599959586 /nfs/dbraw/zinc/95/95/86/599959586.db2.gz UZJGJLLUXFSNQN-LLCTXKFZSA-N -1 1 382.420 3.334 20 10 GGCDMM O=C([O-])COc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000739832814 600640204 /nfs/dbraw/zinc/64/02/04/600640204.db2.gz KLOWLBRAVXBDFS-UHFFFAOYSA-N -1 1 399.447 3.338 20 10 GGCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1C(=O)[O-] ZINC000738069501 600659464 /nfs/dbraw/zinc/65/94/64/600659464.db2.gz CALBZIJWGMBDNT-UHFFFAOYSA-N -1 1 396.471 3.379 20 10 GGCDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000833553597 605246866 /nfs/dbraw/zinc/24/68/66/605246866.db2.gz FXDHZVVGHBSDBL-ZDUSSCGKSA-N -1 1 393.075 3.214 20 10 GGCDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1Br ZINC000055163904 1406896889 /nfs/dbraw/zinc/89/68/89/1406896889.db2.gz LVOFCBPQUZVEEF-UHFFFAOYSA-N -1 1 399.266 3.087 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000055639079 1407036058 /nfs/dbraw/zinc/03/60/58/1407036058.db2.gz ACDVSWWGZKOHAK-UHFFFAOYSA-N -1 1 392.861 3.042 20 10 GGCDMM CCc1nsc(N2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000093871511 1410278000 /nfs/dbraw/zinc/27/80/00/1410278000.db2.gz PUDYTQLHJLYLLR-UHFFFAOYSA-N -1 1 397.888 3.080 20 10 GGCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Br ZINC000093917504 1410284332 /nfs/dbraw/zinc/28/43/32/1410284332.db2.gz AMXHZBIAAWRMLM-UHFFFAOYSA-N -1 1 399.266 3.087 20 10 GGCDMM CCCn1ccc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc21 ZINC000094074586 1410301590 /nfs/dbraw/zinc/30/15/90/1410301590.db2.gz CVVBGMBLENBIPL-UHFFFAOYSA-N -1 1 387.461 3.381 20 10 GGCDMM Cc1noc([C@@H]2CCC[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885252 1410803812 /nfs/dbraw/zinc/80/38/12/1410803812.db2.gz SFLXIWWROHHPOU-MRXNPFEDSA-N -1 1 393.443 3.400 20 10 GGCDMM Cc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885252 1410803815 /nfs/dbraw/zinc/80/38/15/1410803815.db2.gz SFLXIWWROHHPOU-MRXNPFEDSA-N -1 1 393.443 3.400 20 10 GGCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2F)CC1 ZINC000106922423 1411320903 /nfs/dbraw/zinc/32/09/03/1411320903.db2.gz XYOWXYCFJVMVCE-UHFFFAOYSA-N -1 1 391.874 3.257 20 10 GGCDMM O=C(NCc1ccccc1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109678920 1411803072 /nfs/dbraw/zinc/80/30/72/1411803072.db2.gz RERIAVDKHIYPCZ-UHFFFAOYSA-N -1 1 382.441 3.123 20 10 GGCDMM COc1ccc(O)c(CNC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000114541718 1412456236 /nfs/dbraw/zinc/45/62/36/1412456236.db2.gz HSBGMRUPLOPNKG-UHFFFAOYSA-N -1 1 398.488 3.337 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1[O-] ZINC000177250448 1428652595 /nfs/dbraw/zinc/65/25/95/1428652595.db2.gz AEDUSRVGLPDWTF-QGZVFWFLSA-N -1 1 376.840 3.122 20 10 GGCDMM Oc1ccccc1CN(Cc1ccco1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826511203 1428691249 /nfs/dbraw/zinc/69/12/49/1428691249.db2.gz GSYWYEXPASCCEY-UHFFFAOYSA-N -1 1 388.840 3.482 20 10 GGCDMM O=S(=O)([N-]CCCSc1nccs1)c1sccc1Br ZINC000117365231 1413031789 /nfs/dbraw/zinc/03/17/89/1413031789.db2.gz SXAJQXHXKCOYEU-UHFFFAOYSA-N -1 1 399.382 3.428 20 10 GGCDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826244667 1428804360 /nfs/dbraw/zinc/80/43/60/1428804360.db2.gz ZYBVEWDPMMEJSV-UHFFFAOYSA-N -1 1 376.464 3.046 20 10 GGCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCc3sccc3C2)c1 ZINC000122538607 1414493545 /nfs/dbraw/zinc/49/35/45/1414493545.db2.gz WELIVELTCHZGFD-UHFFFAOYSA-N -1 1 386.517 3.047 20 10 GGCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)c2)CC1 ZINC000125518069 1415219163 /nfs/dbraw/zinc/21/91/63/1415219163.db2.gz YWVPIDJRAALVDE-UHFFFAOYSA-N -1 1 386.473 3.394 20 10 GGCDMM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000737635463 1428941277 /nfs/dbraw/zinc/94/12/77/1428941277.db2.gz GVVFIXLUMGGSCX-UHFFFAOYSA-N -1 1 389.385 3.493 20 10 GGCDMM Cc1cc(C(=O)NCC2CCSCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737234602 1428947627 /nfs/dbraw/zinc/94/76/27/1428947627.db2.gz NDOFGZAKFKYXTB-UHFFFAOYSA-N -1 1 396.520 3.147 20 10 GGCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCc3ccsc3C2)c1 ZINC000132556476 1416784220 /nfs/dbraw/zinc/78/42/20/1416784220.db2.gz WHNWPAVHBKVXBP-UHFFFAOYSA-N -1 1 386.517 3.047 20 10 GGCDMM CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000821104516 1429201065 /nfs/dbraw/zinc/20/10/65/1429201065.db2.gz HBLQJFLLKVGFST-UHFFFAOYSA-N -1 1 383.427 3.326 20 10 GGCDMM CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000821104516 1429201068 /nfs/dbraw/zinc/20/10/68/1429201068.db2.gz HBLQJFLLKVGFST-UHFFFAOYSA-N -1 1 383.427 3.326 20 10 GGCDMM [O-]c1c(Cl)cccc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000826510806 1429289396 /nfs/dbraw/zinc/28/93/96/1429289396.db2.gz LJUPHGSNVXCCSH-UHFFFAOYSA-N -1 1 375.885 3.249 20 10 GGCDMM CO[C@H](CNC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C)C(C)(C)C ZINC000821677117 1429293166 /nfs/dbraw/zinc/29/31/66/1429293166.db2.gz OYBSKFXIAWTLCJ-GOSISDBHSA-N -1 1 396.495 3.065 20 10 GGCDMM CS[C@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)C1 ZINC000821951306 1429320990 /nfs/dbraw/zinc/32/09/90/1429320990.db2.gz WEELXYZOELQSAJ-RDJZCZTQSA-N -1 1 396.520 3.288 20 10 GGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736819012 1429366062 /nfs/dbraw/zinc/36/60/62/1429366062.db2.gz FJFVVQBAFXKPCV-UHFFFAOYSA-N -1 1 376.464 3.129 20 10 GGCDMM Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cccc1C(F)(F)F ZINC000179816188 1429588428 /nfs/dbraw/zinc/58/84/28/1429588428.db2.gz ZADSIOPAMVXYRG-UHFFFAOYSA-N -1 1 388.367 3.343 20 10 GGCDMM Cc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737232970 1429594296 /nfs/dbraw/zinc/59/42/96/1429594296.db2.gz GGFAGNLTUQYTMJ-ZFWWWQNUSA-N -1 1 396.520 3.240 20 10 GGCDMM Fc1cccc(F)c1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737662724 1423457977 /nfs/dbraw/zinc/45/79/77/1423457977.db2.gz YRJHKQZPZSNFBT-UHFFFAOYSA-N -1 1 381.799 3.112 20 10 GGCDMM O=C(C=Cc1cncc(F)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737805351 1424304156 /nfs/dbraw/zinc/30/41/56/1424304156.db2.gz HMQYFYMRULTLEN-FPLPWBNLSA-N -1 1 390.378 3.240 20 10 GGCDMM CCC[C@@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1nnn[n-]1 ZINC000736430516 1429767230 /nfs/dbraw/zinc/76/72/30/1429767230.db2.gz QJYGAXVLWKDBGW-QGZVFWFLSA-N -1 1 386.887 3.461 20 10 GGCDMM Oc1ccc2c(c1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCCC2 ZINC000823732758 1425114301 /nfs/dbraw/zinc/11/43/01/1425114301.db2.gz PPOKAYDUTYJJPU-UHFFFAOYSA-N -1 1 390.369 3.477 20 10 GGCDMM O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823253377 1425541401 /nfs/dbraw/zinc/54/14/01/1425541401.db2.gz GQFDABADZDSYAT-UHFFFAOYSA-N -1 1 397.870 3.442 20 10 GGCDMM CC(C)(C)c1ncc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000824141734 1426276644 /nfs/dbraw/zinc/27/66/44/1426276644.db2.gz MRCXPJXGIZZWGS-SREVYHEPSA-N -1 1 380.477 3.223 20 10 GGCDMM Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826259613 1426463350 /nfs/dbraw/zinc/46/33/50/1426463350.db2.gz XUVGOKCGBQGUMA-UHFFFAOYSA-N -1 1 376.464 3.194 20 10 GGCDMM CCCCN(CCOC)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736457678 1426528949 /nfs/dbraw/zinc/52/89/49/1426528949.db2.gz XFLKOHLLGMDFNC-UHFFFAOYSA-N -1 1 396.495 3.163 20 10 GGCDMM Cc1cc(C(=O)N(CC(F)F)C(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822167761 1426549763 /nfs/dbraw/zinc/54/97/63/1426549763.db2.gz HZZQRZQBCDHACZ-UHFFFAOYSA-N -1 1 388.422 3.390 20 10 GGCDMM COc1ccc(N2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737100310 1426763997 /nfs/dbraw/zinc/76/39/97/1426763997.db2.gz WJOWSRZVMKTLCS-UHFFFAOYSA-N -1 1 384.871 3.245 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c(C)c1 ZINC000822241097 1426894067 /nfs/dbraw/zinc/89/40/67/1426894067.db2.gz KZFVNCVMRMTZLT-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C(=O)N(CC(F)F)C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737226985 1427560317 /nfs/dbraw/zinc/56/03/17/1427560317.db2.gz GVUUJSCSAYMFSN-UHFFFAOYSA-N -1 1 386.406 3.144 20 10 GGCDMM Fc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1N1CCOCC1 ZINC000822748273 1427958736 /nfs/dbraw/zinc/95/87/36/1427958736.db2.gz QQDKMSAHZORGQP-UHFFFAOYSA-N -1 1 388.834 3.108 20 10 GGCDMM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CCSCC2)cc1 ZINC000737558016 1428092220 /nfs/dbraw/zinc/09/22/20/1428092220.db2.gz IQBUZKSDFDNBMW-UHFFFAOYSA-N -1 1 387.900 3.080 20 10 GGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1C ZINC000822309394 1429790189 /nfs/dbraw/zinc/79/01/89/1429790189.db2.gz XBQZHCMCWNOFRD-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc3n[nH]cc3c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737239009 1430165827 /nfs/dbraw/zinc/16/58/27/1430165827.db2.gz XFGLVQBNSKXUEO-UHFFFAOYSA-N -1 1 398.430 3.403 20 10 GGCDMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)n1-c1ccccc1C ZINC000181028020 1430175442 /nfs/dbraw/zinc/17/54/42/1430175442.db2.gz PBJHEJBJWLIWIG-UHFFFAOYSA-N -1 1 399.472 3.008 20 10 GGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c(C)c(C)c1O ZINC000187057973 1431602240 /nfs/dbraw/zinc/60/22/40/1431602240.db2.gz LXDIQGSKBJHPHK-UHFFFAOYSA-N -1 1 390.383 3.454 20 10 GGCDMM CN(C)S(=O)(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000193936807 1433088394 /nfs/dbraw/zinc/08/83/94/1433088394.db2.gz GTQBKVCNXOUGKG-UHFFFAOYSA-N -1 1 385.283 3.017 20 10 GGCDMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000268018993 1434487617 /nfs/dbraw/zinc/48/76/17/1434487617.db2.gz UPNGNXKECQOABR-UHFFFAOYSA-N -1 1 393.461 3.261 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCCc4ccccc43)no2)c1 ZINC000273730156 1435008686 /nfs/dbraw/zinc/00/86/86/1435008686.db2.gz MSWQCVKOTUKQII-OAHLLOKOSA-N -1 1 385.445 3.282 20 10 GGCDMM CCCCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1[C@H](CC)N(C)C ZINC000274187292 1435049722 /nfs/dbraw/zinc/04/97/22/1435049722.db2.gz YXDXICAMVMTYRF-AWEZNQCLSA-N -1 1 392.525 3.477 20 10 GGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000276658337 1435223201 /nfs/dbraw/zinc/22/32/01/1435223201.db2.gz XSIRQDKJFPHNEM-QGZVFWFLSA-N -1 1 379.815 3.476 20 10 GGCDMM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278173498 1435366354 /nfs/dbraw/zinc/36/63/54/1435366354.db2.gz FZNCQRVNMHODJJ-UHFFFAOYSA-N -1 1 387.436 3.386 20 10 GGCDMM CCc1onc(C)c1NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825782863 1441495750 /nfs/dbraw/zinc/49/57/50/1441495750.db2.gz SFNMOSFPSWWXEU-UHFFFAOYSA-N -1 1 391.435 3.385 20 10 GGCDMM Cc1cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822166906 1441551557 /nfs/dbraw/zinc/55/15/57/1441551557.db2.gz AAKBMVBLKICRCR-KBPBESRZSA-N -1 1 396.520 3.240 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736533341 1441825175 /nfs/dbraw/zinc/82/51/75/1441825175.db2.gz ZNXKBDXWPXAWHU-UHFFFAOYSA-N -1 1 383.431 3.174 20 10 GGCDMM CCc1cccnc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825728194 1442074053 /nfs/dbraw/zinc/07/40/53/1442074053.db2.gz KGAJXNIFVGXPEL-UHFFFAOYSA-N -1 1 387.447 3.484 20 10 GGCDMM C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373255 1442342313 /nfs/dbraw/zinc/34/23/13/1442342313.db2.gz GXJBZABEXGSHEN-OAHLLOKOSA-N -1 1 391.479 3.027 20 10 GGCDMM CC1CCN(c2ccc(CNc3nc4ccccn4c3-c3nnn[n-]3)cc2)CC1 ZINC000824961742 1443373489 /nfs/dbraw/zinc/37/34/89/1443373489.db2.gz HKYSRKZHZUDVHM-UHFFFAOYSA-N -1 1 388.479 3.363 20 10 GGCDMM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498325 1443798759 /nfs/dbraw/zinc/79/87/59/1443798759.db2.gz PTPCNQUJOFROSN-UHFFFAOYSA-N -1 1 383.799 3.117 20 10 GGCDMM Cc1cnc([C@H](C)OC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)o1 ZINC000826317445 1443949144 /nfs/dbraw/zinc/94/91/44/1443949144.db2.gz CWYXTELCTPNNMG-AWEZNQCLSA-N -1 1 392.419 3.489 20 10 GGCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000826256811 1443954861 /nfs/dbraw/zinc/95/48/61/1443954861.db2.gz AZVUUGKDYHCCJH-UHFFFAOYSA-N -1 1 399.817 3.146 20 10 GGCDMM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823229235 1446250769 /nfs/dbraw/zinc/25/07/69/1446250769.db2.gz HZLPPXFLJCKNHS-UHFFFAOYSA-N -1 1 398.854 3.426 20 10 GGCDMM OCC1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)cc2)CC1 ZINC000738393085 1446516350 /nfs/dbraw/zinc/51/63/50/1446516350.db2.gz IOJDFJMCMAIMFL-UHFFFAOYSA-N -1 1 398.898 3.341 20 10 GGCDMM Fc1cc(F)c(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737643965 1446752939 /nfs/dbraw/zinc/75/29/39/1446752939.db2.gz IMJIJSUKXXKWLP-UHFFFAOYSA-N -1 1 399.789 3.251 20 10 GGCDMM Cc1cc(C(=O)OCc2nc(C)c(C)o2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737477491 1446952514 /nfs/dbraw/zinc/95/25/14/1446952514.db2.gz NEPZYVWDFWPZDL-UHFFFAOYSA-N -1 1 392.419 3.236 20 10 GGCDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000826249505 1449154776 /nfs/dbraw/zinc/15/47/76/1449154776.db2.gz GGLDBCJREBZIOL-UHFFFAOYSA-N -1 1 396.414 3.137 20 10 GGCDMM CCN(CC)c1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1F ZINC000736531824 1449576501 /nfs/dbraw/zinc/57/65/01/1449576501.db2.gz LYJOUCHEPJXQMQ-UHFFFAOYSA-N -1 1 381.459 3.348 20 10 GGCDMM CCN(CC)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825417381 1449874056 /nfs/dbraw/zinc/87/40/56/1449874056.db2.gz QGLDDCYVEHDPOI-UHFFFAOYSA-N -1 1 396.495 3.350 20 10 GGCDMM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820703460 1449903787 /nfs/dbraw/zinc/90/37/87/1449903787.db2.gz FTCWQQLYSGTUHI-QMJOALNRSA-N -1 1 375.479 3.240 20 10 GGCDMM Cc1cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822166929 1450150724 /nfs/dbraw/zinc/15/07/24/1450150724.db2.gz AAKBMVBLKICRCR-ZIAGYGMSSA-N -1 1 396.520 3.240 20 10 GGCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1OC ZINC000821828073 1450429340 /nfs/dbraw/zinc/42/93/40/1450429340.db2.gz PJYYJJCYHLVFMY-UHFFFAOYSA-N -1 1 391.378 3.122 20 10 GGCDMM C[C@H](C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000840999412 955587790 /nfs/dbraw/zinc/58/77/90/955587790.db2.gz VSTMJPOAJNBRSN-SSDOTTSWSA-N -1 1 381.064 3.070 20 10 GGCDMM O=C(CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001574527254 961889280 /nfs/dbraw/zinc/88/92/80/961889280.db2.gz PLAALHUUARKLFX-BTYIYWSLSA-N -1 1 394.431 3.074 20 10 GGCDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000840997584 969221347 /nfs/dbraw/zinc/22/13/47/969221347.db2.gz OYUNFPAMLBVQKN-MRVPVSSYSA-N -1 1 393.075 3.214 20 10 GGCDMM O=C([O-])[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892875 972696464 /nfs/dbraw/zinc/69/64/64/972696464.db2.gz JQEGIZQGNKZUEH-WMZOPIPTSA-N -1 1 394.899 3.017 20 10 GGCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001591756700 975828160 /nfs/dbraw/zinc/82/81/60/975828160.db2.gz FZVBTFUGQMEMCN-YHYXMXQVSA-N -1 1 377.418 3.078 20 10 GGCDMM CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736272107 978316044 /nfs/dbraw/zinc/31/60/44/978316044.db2.gz CHLFZKAWCPPFCW-ZDUSSCGKSA-N -1 1 398.887 3.189 20 10 GGCDMM CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736272107 978316051 /nfs/dbraw/zinc/31/60/51/978316051.db2.gz CHLFZKAWCPPFCW-ZDUSSCGKSA-N -1 1 398.887 3.189 20 10 GGCDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761996019 978717676 /nfs/dbraw/zinc/71/76/76/978717676.db2.gz QWWRXZINPUXJOG-UHFFFAOYSA-N -1 1 383.397 3.126 20 10 GGCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(Cl)cc1F ZINC000776751900 978775185 /nfs/dbraw/zinc/77/51/85/978775185.db2.gz XJBVWHGPXCFLIR-UHFFFAOYSA-N -1 1 380.180 3.337 20 10 GGCDMM O=C([O-])/C=C\c1ccc(N2CCN(CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000844208059 979357924 /nfs/dbraw/zinc/35/79/24/979357924.db2.gz NEDJZHFJBTXBCM-XQRVVYSFSA-N -1 1 387.461 3.119 20 10 GGCDMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368959 982387057 /nfs/dbraw/zinc/38/70/57/982387057.db2.gz IOAXXPONZSGEBO-YESZJQIVSA-N -1 1 394.899 3.017 20 10 GGCDMM CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CC12CC(C(=O)[O-])C2 ZINC001589867601 988490462 /nfs/dbraw/zinc/49/04/62/988490462.db2.gz YNPFVVRAEAYONG-LXDLAPCHSA-N -1 1 395.883 3.300 20 10 GGCDMM CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CC12CC(C(=O)[O-])C2 ZINC001589867601 988490464 /nfs/dbraw/zinc/49/04/64/988490464.db2.gz YNPFVVRAEAYONG-LXDLAPCHSA-N -1 1 395.883 3.300 20 10 GGCDMM CC(C)(C)OCCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001590381527 989894354 /nfs/dbraw/zinc/89/43/54/989894354.db2.gz BSIXVINTNDRXET-SOFGYWHQSA-N -1 1 391.468 3.020 20 10 GGCDMM C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211181 994262099 /nfs/dbraw/zinc/26/20/99/994262099.db2.gz VPJCXOWENXHDRF-QMTHXVAHSA-N -1 1 385.338 3.373 20 10 GGCDMM C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211183 994263005 /nfs/dbraw/zinc/26/30/05/994263005.db2.gz VPJCXOWENXHDRF-YGRLFVJLSA-N -1 1 385.338 3.373 20 10 GGCDMM COc1c([O-])c(C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC001599345778 998003683 /nfs/dbraw/zinc/00/36/83/998003683.db2.gz PHBSUSMDLDXLPY-QGZVFWFLSA-N -1 1 382.372 3.378 20 10 GGCDMM COc1c([O-])c(C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC001599345777 998003954 /nfs/dbraw/zinc/00/39/54/998003954.db2.gz PHBSUSMDLDXLPY-KRWDZBQOSA-N -1 1 382.372 3.378 20 10 GGCDMM COc1cc(O)c(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446489 998018037 /nfs/dbraw/zinc/01/80/37/998018037.db2.gz WOFQVSAHKWIINH-GFCCVEGCSA-N -1 1 378.450 3.210 20 10 GGCDMM COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)c1OC ZINC001599558468 998140627 /nfs/dbraw/zinc/14/06/27/998140627.db2.gz CKIPMGIRBVRDJK-UHFFFAOYSA-N -1 1 379.840 3.458 20 10 GGCDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)c1OC ZINC001599558468 998140634 /nfs/dbraw/zinc/14/06/34/998140634.db2.gz CKIPMGIRBVRDJK-UHFFFAOYSA-N -1 1 379.840 3.458 20 10 GGCDMM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001594167547 998645823 /nfs/dbraw/zinc/64/58/23/998645823.db2.gz QPPABYNMWSNQEB-OIBJUYFYSA-N -1 1 393.075 3.212 20 10 GGCDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2nsnc21 ZINC000019100055 564302536 /nfs/dbraw/zinc/30/25/36/564302536.db2.gz XTPFGPNFDQIBLM-UHFFFAOYSA-N -1 1 397.865 3.307 20 10 GGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000370157552 565131109 /nfs/dbraw/zinc/13/11/09/565131109.db2.gz APFGQHSTIAALPY-UHFFFAOYSA-N -1 1 378.475 3.190 20 10 GGCDMM COCCOCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000292849569 565137857 /nfs/dbraw/zinc/13/78/57/565137857.db2.gz BTGJCQQFKVQBLX-UHFFFAOYSA-N -1 1 394.265 3.248 20 10 GGCDMM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184877964 565162241 /nfs/dbraw/zinc/16/22/41/565162241.db2.gz OIPBKGLGOJLDII-SNVBAGLBSA-N -1 1 383.265 3.463 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@@H](O)CC1 ZINC000293944364 565191711 /nfs/dbraw/zinc/19/17/11/565191711.db2.gz IGYCKGVIRHPPOZ-LLVKDONJSA-N -1 1 379.092 3.264 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000373467898 565287381 /nfs/dbraw/zinc/28/73/81/565287381.db2.gz SYZIMRBTGCGARK-SECBINFHSA-N -1 1 391.103 3.386 20 10 GGCDMM CCOC(=O)C1([S@](C)=O)CCN([C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556007 565322925 /nfs/dbraw/zinc/32/29/25/565322925.db2.gz RUVKMEDUXLSHPP-BZQUYTCOSA-N -1 1 387.929 3.273 20 10 GGCDMM Cc1cccnc1CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000296881805 565343648 /nfs/dbraw/zinc/34/36/48/565343648.db2.gz WMVHXGQENXEBQE-UHFFFAOYSA-N -1 1 378.270 3.290 20 10 GGCDMM CCc1nn(C)c(CC)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277477410 565500276 /nfs/dbraw/zinc/50/02/76/565500276.db2.gz PLHXZFOHJAZNDW-UHFFFAOYSA-N -1 1 395.301 3.012 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC2(CCCC2)C1 ZINC000277795651 565520695 /nfs/dbraw/zinc/52/06/95/565520695.db2.gz SURPWGURWZNHEN-ZDUSSCGKSA-N -1 1 383.286 3.446 20 10 GGCDMM COc1c([O-])c(CN(C)Cc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278166229 565543098 /nfs/dbraw/zinc/54/30/98/565543098.db2.gz FHZRANPSZPZXLB-UHFFFAOYSA-N -1 1 377.344 3.416 20 10 GGCDMM Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278930397 565584887 /nfs/dbraw/zinc/58/48/87/565584887.db2.gz HYZQEVOIUBOWMN-CYBMUJFWSA-N -1 1 395.257 3.061 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCC12CCOCC2 ZINC000282926212 565802811 /nfs/dbraw/zinc/80/28/11/565802811.db2.gz SXIJRWPQECLFJM-CQSZACIVSA-N -1 1 383.286 3.303 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000819051327 597537310 /nfs/dbraw/zinc/53/73/10/597537310.db2.gz HQCQDEYYOTVRPR-HNNXBMFYSA-N -1 1 379.412 3.381 20 10 GGCDMM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571042 599311147 /nfs/dbraw/zinc/31/11/47/599311147.db2.gz UYXCHRVFDGAJMG-OTIXFSKASA-N -1 1 389.487 3.484 20 10 GGCDMM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000820571042 599311149 /nfs/dbraw/zinc/31/11/49/599311149.db2.gz UYXCHRVFDGAJMG-OTIXFSKASA-N -1 1 389.487 3.484 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1F ZINC000822240997 599312235 /nfs/dbraw/zinc/31/22/35/599312235.db2.gz IDIUIHLKPVXJLW-NTUHNPAUSA-N -1 1 387.421 3.313 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1F ZINC000822240997 599312237 /nfs/dbraw/zinc/31/22/37/599312237.db2.gz IDIUIHLKPVXJLW-NTUHNPAUSA-N -1 1 387.421 3.313 20 10 GGCDMM Cc1ccnc(NC[C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738798928 599959669 /nfs/dbraw/zinc/95/96/69/599959669.db2.gz UZJGJLLUXFSNQN-WMHVBEDNSA-N -1 1 382.420 3.334 20 10 GGCDMM Cc1ccnc(NC[C@@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738798925 599959702 /nfs/dbraw/zinc/95/97/02/599959702.db2.gz UZJGJLLUXFSNQN-IMMZDGJCSA-N -1 1 382.420 3.334 20 10 GGCDMM O=C([O-])c1cc2ccccc2c(CN2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000740097721 600412397 /nfs/dbraw/zinc/41/23/97/600412397.db2.gz QHGITVVXZMASPD-UHFFFAOYSA-N -1 1 390.439 3.202 20 10 GGCDMM C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738217284 600611249 /nfs/dbraw/zinc/61/12/49/600611249.db2.gz UWOWPHXBAYBOTM-XAVKZTDYSA-N -1 1 381.432 3.403 20 10 GGCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)[O-] ZINC000738069532 600659206 /nfs/dbraw/zinc/65/92/06/600659206.db2.gz IFUPFCKCXOYAEL-UHFFFAOYSA-N -1 1 390.442 3.318 20 10 GGCDMM Cc1ccccc1NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000832978393 601006884 /nfs/dbraw/zinc/00/68/84/601006884.db2.gz CWOUEDKAOASMIV-UHFFFAOYSA-N -1 1 376.840 3.269 20 10 GGCDMM Cc1ccccc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000832978393 601006886 /nfs/dbraw/zinc/00/68/86/601006886.db2.gz CWOUEDKAOASMIV-UHFFFAOYSA-N -1 1 376.840 3.269 20 10 GGCDMM O=C([O-])C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000833247975 601007031 /nfs/dbraw/zinc/00/70/31/601007031.db2.gz FGNZZLOHZKCKBU-UHFFFAOYSA-N -1 1 398.793 3.239 20 10 GGCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000833247975 601007032 /nfs/dbraw/zinc/00/70/32/601007032.db2.gz FGNZZLOHZKCKBU-UHFFFAOYSA-N -1 1 398.793 3.239 20 10 GGCDMM Cc1cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1-c1ccccc1C ZINC000833753414 605195310 /nfs/dbraw/zinc/19/53/10/605195310.db2.gz UQNPXURDGVCODK-GOSISDBHSA-N -1 1 397.519 3.066 20 10 GGCDMM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000833455209 605717568 /nfs/dbraw/zinc/71/75/68/605717568.db2.gz SWGVEUWWLKLZIT-OAHLLOKOSA-N -1 1 382.888 3.017 20 10 GGCDMM CN(C)c1ccc(CN(Cc2ccco2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825880212 607902196 /nfs/dbraw/zinc/90/21/96/607902196.db2.gz YRBFELKTWIILBF-UHFFFAOYSA-N -1 1 375.436 3.128 20 10 GGCDMM CN(C)c1ccc(CN(Cc2ccco2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825880212 607902197 /nfs/dbraw/zinc/90/21/97/607902197.db2.gz YRBFELKTWIILBF-UHFFFAOYSA-N -1 1 375.436 3.128 20 10 GGCDMM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000007706465 1398732667 /nfs/dbraw/zinc/73/26/67/1398732667.db2.gz HMHIAYARUMRSRY-UHFFFAOYSA-N -1 1 394.402 3.347 20 10 GGCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000028257101 1400144168 /nfs/dbraw/zinc/14/41/68/1400144168.db2.gz LDHDNIJPMLCCON-UHFFFAOYSA-N -1 1 395.289 3.166 20 10 GGCDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)c(C)n1-c1ccccn1 ZINC000067074041 1409002064 /nfs/dbraw/zinc/00/20/64/1409002064.db2.gz FSPGALMVLSZTKV-UHFFFAOYSA-N -1 1 384.509 3.297 20 10 GGCDMM CCn1c(CCNC(=O)c2sccc2-n2c(C)ccc2C)n[n-]c1=S ZINC000067075841 1409002985 /nfs/dbraw/zinc/00/29/85/1409002985.db2.gz MWHFNAQPITWXLG-UHFFFAOYSA-N -1 1 375.523 3.402 20 10 GGCDMM Cc1cc(C(=O)Nc2cccc(O)c2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260450 1428443819 /nfs/dbraw/zinc/44/38/19/1428443819.db2.gz OGVAZRXXVPTVSG-UHFFFAOYSA-N -1 1 392.394 3.371 20 10 GGCDMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094017476 1410292951 /nfs/dbraw/zinc/29/29/51/1410292951.db2.gz BRKSWXNAGLFIRR-UHFFFAOYSA-N -1 1 388.489 3.480 20 10 GGCDMM Cc1c(Br)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094091599 1410302415 /nfs/dbraw/zinc/30/24/15/1410302415.db2.gz GCYPZOSLMNXWHK-UHFFFAOYSA-N -1 1 399.266 3.087 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000094103651 1410304795 /nfs/dbraw/zinc/30/47/95/1410304795.db2.gz SFYIDTSWXCXFHK-UHFFFAOYSA-N -1 1 392.330 3.174 20 10 GGCDMM CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885339 1410804083 /nfs/dbraw/zinc/80/40/83/1410804083.db2.gz RJPLOHPKAKLJRO-QGZVFWFLSA-N -1 1 396.487 3.067 20 10 GGCDMM CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885339 1410804084 /nfs/dbraw/zinc/80/40/84/1410804084.db2.gz RJPLOHPKAKLJRO-QGZVFWFLSA-N -1 1 396.487 3.067 20 10 GGCDMM COc1ccc(O)c([C@@H](C)NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000103530296 1410866432 /nfs/dbraw/zinc/86/64/32/1410866432.db2.gz IEOVMQAODRYIOJ-SNVBAGLBSA-N -1 1 390.490 3.261 20 10 GGCDMM O=C(NCc1ccccc1O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110229375 1411838983 /nfs/dbraw/zinc/83/89/83/1411838983.db2.gz AFWIJVYHBPMKBE-LJQANCHMSA-N -1 1 390.439 3.172 20 10 GGCDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc21 ZINC000111995256 1412065012 /nfs/dbraw/zinc/06/50/12/1412065012.db2.gz GDGRDTQVOFJNHU-UHFFFAOYSA-N -1 1 399.516 3.387 20 10 GGCDMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCCSc1nccs1 ZINC000114374901 1412421166 /nfs/dbraw/zinc/42/11/66/1412421166.db2.gz DJPDRQZWMSMLEY-UHFFFAOYSA-N -1 1 397.576 3.424 20 10 GGCDMM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000821169738 1428741518 /nfs/dbraw/zinc/74/15/18/1428741518.db2.gz CGWDZSWHKGRWSV-UHFFFAOYSA-N -1 1 386.481 3.019 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000822210612 1428870576 /nfs/dbraw/zinc/87/05/76/1428870576.db2.gz KPYRPVYGLDMHED-UHFFFAOYSA-N -1 1 387.465 3.113 20 10 GGCDMM COCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000821695179 1428986125 /nfs/dbraw/zinc/98/61/25/1428986125.db2.gz MROACWMQJKYHPF-ZSOIEALJSA-N -1 1 399.457 3.012 20 10 GGCDMM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCSCC2)cc1 ZINC000824019731 1429326896 /nfs/dbraw/zinc/32/68/96/1429326896.db2.gz MPUYUJGJZIEVRQ-UHFFFAOYSA-N -1 1 394.504 3.235 20 10 GGCDMM CN(C(=O)C=Cc1cnc2ccccc2n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569522 1429389969 /nfs/dbraw/zinc/38/99/69/1429389969.db2.gz NAJCGEYGWCIEOU-CLFYSBASSA-N -1 1 391.822 3.140 20 10 GGCDMM CN1CCCc2cc(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000821625543 1429483873 /nfs/dbraw/zinc/48/38/73/1429483873.db2.gz QGXHIXBAQHLJAA-UHFFFAOYSA-N -1 1 397.870 3.224 20 10 GGCDMM O=C1C(=Cc2ccc([O-])c(Br)c2)NC(=S)N1Cc1ccccc1 ZINC000152995577 1422320400 /nfs/dbraw/zinc/32/04/00/1422320400.db2.gz MSZRHFACJHZPFQ-ZROIWOOFSA-N -1 1 389.274 3.413 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1F ZINC000822240998 1429596537 /nfs/dbraw/zinc/59/65/37/1429596537.db2.gz IDIUIHLKPVXJLW-QPEQYQDCSA-N -1 1 387.421 3.313 20 10 GGCDMM CC(C)(C)OC(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000154860100 1423058350 /nfs/dbraw/zinc/05/83/50/1423058350.db2.gz CENRUWZJAJFCTH-UHFFFAOYSA-N -1 1 385.848 3.443 20 10 GGCDMM Cc1cc(C(=O)OCC(F)(F)C(F)F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822182925 1423572211 /nfs/dbraw/zinc/57/22/11/1423572211.db2.gz DWLMQPAQNSOZRP-UHFFFAOYSA-N -1 1 397.332 3.331 20 10 GGCDMM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825416786 1424002770 /nfs/dbraw/zinc/00/27/70/1424002770.db2.gz MCJMAKTXJOVQCC-UHFFFAOYSA-N -1 1 378.480 3.294 20 10 GGCDMM CC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1O ZINC000825428578 1429692796 /nfs/dbraw/zinc/69/27/96/1429692796.db2.gz QMSJYZNKADKIAZ-UHFFFAOYSA-N -1 1 394.298 3.418 20 10 GGCDMM CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1[O-] ZINC000825428578 1429692802 /nfs/dbraw/zinc/69/28/02/1429692802.db2.gz QMSJYZNKADKIAZ-UHFFFAOYSA-N -1 1 394.298 3.418 20 10 GGCDMM CC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1[O-] ZINC000825428578 1429692809 /nfs/dbraw/zinc/69/28/09/1429692809.db2.gz QMSJYZNKADKIAZ-UHFFFAOYSA-N -1 1 394.298 3.418 20 10 GGCDMM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000824015109 1429743364 /nfs/dbraw/zinc/74/33/64/1429743364.db2.gz PFVFMAWOTHCMIP-UHFFFAOYSA-N -1 1 394.504 3.235 20 10 GGCDMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821491943 1425099347 /nfs/dbraw/zinc/09/93/47/1425099347.db2.gz DJOIRSIQANXPGL-NTEUORMPSA-N -1 1 383.458 3.428 20 10 GGCDMM Cc1cc(C(=O)N2CC[C@H](C3CC3)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257749 1425392507 /nfs/dbraw/zinc/39/25/07/1425392507.db2.gz OAPYTXPFLWMGCJ-KRWDZBQOSA-N -1 1 376.464 3.146 20 10 GGCDMM Cc1cc(C(=O)OCCC(F)(F)F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737242521 1425405590 /nfs/dbraw/zinc/40/55/90/1425405590.db2.gz OSYILJXWIOXDQF-UHFFFAOYSA-N -1 1 379.342 3.383 20 10 GGCDMM CC(C)Oc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000820168865 1425624856 /nfs/dbraw/zinc/62/48/56/1425624856.db2.gz DAXLJTRJFIJDHL-UHFFFAOYSA-N -1 1 395.467 3.042 20 10 GGCDMM CN(C)c1ccc(CN(c2snc(Cl)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000821589523 1425797106 /nfs/dbraw/zinc/79/71/06/1425797106.db2.gz ROCDKIVEIIQPBW-UHFFFAOYSA-N -1 1 375.889 3.212 20 10 GGCDMM COc1ccc(O)c([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737106615 1425956878 /nfs/dbraw/zinc/95/68/78/1425956878.db2.gz WBMJPWSNNLFNJD-QMMMGPOBSA-N -1 1 380.330 3.168 20 10 GGCDMM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571041 1426037918 /nfs/dbraw/zinc/03/79/18/1426037918.db2.gz UYXCHRVFDGAJMG-LQGZHCLWSA-N -1 1 389.487 3.484 20 10 GGCDMM Cc1cc(C(=O)OCCCOC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737243525 1426149473 /nfs/dbraw/zinc/14/94/73/1426149473.db2.gz UDUMMSLZBWAPEW-UHFFFAOYSA-N -1 1 383.452 3.246 20 10 GGCDMM CCN(CC)c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417413 1426315745 /nfs/dbraw/zinc/31/57/45/1426315745.db2.gz RFNRENDFKXUWMC-NRFANRHFSA-N -1 1 392.507 3.286 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000736531409 1426486188 /nfs/dbraw/zinc/48/61/88/1426486188.db2.gz GNYGNMQLLVDFHF-UHFFFAOYSA-N -1 1 397.458 3.482 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000820728472 1426539782 /nfs/dbraw/zinc/53/97/82/1426539782.db2.gz WMDFXIJKMOKIBE-UHFFFAOYSA-N -1 1 382.493 3.095 20 10 GGCDMM CCN(CC)c1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000736532023 1426595384 /nfs/dbraw/zinc/59/53/84/1426595384.db2.gz PKOMZLGZMZRFCC-UHFFFAOYSA-N -1 1 399.499 3.339 20 10 GGCDMM Cc1cc(C(=O)OCC[C@H]2CCCC2=O)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822183900 1427286774 /nfs/dbraw/zinc/28/67/74/1427286774.db2.gz LCFJRZZMZHPPBS-OAHLLOKOSA-N -1 1 393.447 3.190 20 10 GGCDMM Cc1cc(C(=O)N[C@H]2CCC(F)(F)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822168515 1428029506 /nfs/dbraw/zinc/02/95/06/1428029506.db2.gz PICQTMKQEBPJPQ-AWEZNQCLSA-N -1 1 386.406 3.192 20 10 GGCDMM Clc1ccc(C2=CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cn1 ZINC000826351524 1429815334 /nfs/dbraw/zinc/81/53/34/1429815334.db2.gz QBULMZHGJSQMGL-UHFFFAOYSA-N -1 1 379.855 3.093 20 10 GGCDMM COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000180329441 1429837286 /nfs/dbraw/zinc/83/72/86/1429837286.db2.gz ZRIQPSBRUZQFQP-UHFFFAOYSA-N -1 1 380.366 3.382 20 10 GGCDMM CN(C)C(=O)CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000180551450 1429896042 /nfs/dbraw/zinc/89/60/42/1429896042.db2.gz JGPQVSIUORRAFH-UHFFFAOYSA-N -1 1 396.487 3.019 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1CCc1ccccc1 ZINC000823504535 1430025498 /nfs/dbraw/zinc/02/54/98/1430025498.db2.gz RANJZNQIANFCSZ-GXDHUFHOSA-N -1 1 399.526 3.372 20 10 GGCDMM COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cccc(Cl)c1[O-] ZINC000181006381 1430163657 /nfs/dbraw/zinc/16/36/57/1430163657.db2.gz PAVWUANWODHMJR-UHFFFAOYSA-N -1 1 389.883 3.054 20 10 GGCDMM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)CC1 ZINC000187117459 1431620013 /nfs/dbraw/zinc/62/00/13/1431620013.db2.gz YAXKWRZPVGQNHX-UHFFFAOYSA-N -1 1 389.455 3.466 20 10 GGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000189424203 1432106462 /nfs/dbraw/zinc/10/64/62/1432106462.db2.gz RPLDMHUPRWDGOH-UHFFFAOYSA-N -1 1 376.356 3.092 20 10 GGCDMM Nc1ccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000237918056 1433434467 /nfs/dbraw/zinc/43/44/67/1433434467.db2.gz ZKRZPFLKBPCJKF-UHFFFAOYSA-N -1 1 399.447 3.390 20 10 GGCDMM Cc1ccc(-n2c(Cl)c(C=C3SC(=S)[N-]C3=O)nc2N(C)C)cc1 ZINC000255103154 1433876342 /nfs/dbraw/zinc/87/63/42/1433876342.db2.gz SMWHOBFSWVMUTA-XYOKQWHBSA-N -1 1 378.910 3.389 20 10 GGCDMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C ZINC000267995547 1434485168 /nfs/dbraw/zinc/48/51/68/1434485168.db2.gz LGICJECSISSKNM-UHFFFAOYSA-N -1 1 397.518 3.337 20 10 GGCDMM CSCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393000 1434985713 /nfs/dbraw/zinc/98/57/13/1434985713.db2.gz LCKMSJPIAPIJOB-IUODEOHRSA-N -1 1 387.465 3.488 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C3(c4ccccc4)CCC3)no2)c1 ZINC000273897630 1435026603 /nfs/dbraw/zinc/02/66/03/1435026603.db2.gz CMSLCHYINLAPFN-UHFFFAOYSA-N -1 1 385.445 3.284 20 10 GGCDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000275017128 1435109904 /nfs/dbraw/zinc/10/99/04/1435109904.db2.gz LQJPIFUFUJIGGR-UHFFFAOYSA-N -1 1 375.450 3.266 20 10 GGCDMM COc1c([O-])c(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)ccc1[N+](=O)[O-] ZINC000278192424 1435368166 /nfs/dbraw/zinc/36/81/66/1435368166.db2.gz IFEQVHMLTLNCDK-GFCCVEGCSA-N -1 1 394.428 3.058 20 10 GGCDMM COc1c([O-])c(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278207330 1435369710 /nfs/dbraw/zinc/36/97/10/1435369710.db2.gz JRBIKCDOSAQJCE-UHFFFAOYSA-N -1 1 387.436 3.305 20 10 GGCDMM C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc([O-])c3F)cc2F)C[C@@H](C)O1 ZINC000280822517 1435726041 /nfs/dbraw/zinc/72/60/41/1435726041.db2.gz RUWTZBHEXAGKNL-VXGBXAGGSA-N -1 1 394.393 3.353 20 10 GGCDMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280846685 1435730066 /nfs/dbraw/zinc/73/00/66/1435730066.db2.gz ZCASKBVKZAZLSG-LBPRGKRZSA-N -1 1 376.840 3.339 20 10 GGCDMM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822231935 1441591488 /nfs/dbraw/zinc/59/14/88/1441591488.db2.gz NGPDOYPIBFPMIT-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C(=O)Nn2cnc3ccccc32)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737238965 1441658129 /nfs/dbraw/zinc/65/81/29/1441658129.db2.gz VTSUJULIWHSZIE-UHFFFAOYSA-N -1 1 398.430 3.008 20 10 GGCDMM CCCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccc1O ZINC000821109986 1441932440 /nfs/dbraw/zinc/93/24/40/1441932440.db2.gz VGAFFVZCPDEULI-UHFFFAOYSA-N -1 1 391.435 3.035 20 10 GGCDMM CCCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1O ZINC000821109986 1441932443 /nfs/dbraw/zinc/93/24/43/1441932443.db2.gz VGAFFVZCPDEULI-UHFFFAOYSA-N -1 1 391.435 3.035 20 10 GGCDMM CCCn1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1 ZINC000821147475 1441937229 /nfs/dbraw/zinc/93/72/29/1441937229.db2.gz GULGFXAAQPMKTI-UHFFFAOYSA-N -1 1 390.451 3.133 20 10 GGCDMM [O-]c1ccc(Cl)cc1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511590 1442190134 /nfs/dbraw/zinc/19/01/34/1442190134.db2.gz WSNDOUYSLLFKSN-UHFFFAOYSA-N -1 1 385.855 3.269 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1C ZINC000822241561 1442262526 /nfs/dbraw/zinc/26/25/26/1442262526.db2.gz ZRQONQJSZYMSMK-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM COc1cc(Br)cc(CNc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000826177131 1442310189 /nfs/dbraw/zinc/31/01/89/1442310189.db2.gz SPDMDZUPCFQGDF-UHFFFAOYSA-N -1 1 390.241 3.264 20 10 GGCDMM COc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1Cl ZINC000821828414 1442399380 /nfs/dbraw/zinc/39/93/80/1442399380.db2.gz VJTLEEYJYUPLFQ-UHFFFAOYSA-N -1 1 389.843 3.053 20 10 GGCDMM Cc1cc(C(=O)N2CC[C@@H](C3CC3)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257750 1443148246 /nfs/dbraw/zinc/14/82/46/1443148246.db2.gz OAPYTXPFLWMGCJ-QGZVFWFLSA-N -1 1 376.464 3.146 20 10 GGCDMM COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1-c1nn[n-]n1 ZINC000821794961 1443166284 /nfs/dbraw/zinc/16/62/84/1443166284.db2.gz REAGCTPOBSTSSO-UHFFFAOYSA-N -1 1 391.431 3.376 20 10 GGCDMM COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000821794961 1443166285 /nfs/dbraw/zinc/16/62/85/1443166285.db2.gz REAGCTPOBSTSSO-UHFFFAOYSA-N -1 1 391.431 3.376 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503492 1443300903 /nfs/dbraw/zinc/30/09/03/1443300903.db2.gz FSASQQVGODFHGA-SDQBBNPISA-N -1 1 389.531 3.318 20 10 GGCDMM CN(C)c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000736772525 1443471611 /nfs/dbraw/zinc/47/16/11/1443471611.db2.gz FFGWKMHUIUCUEY-UHFFFAOYSA-N -1 1 379.424 3.010 20 10 GGCDMM CN(C(=O)C=Cc1ccc(Cl)nc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812607 1443532802 /nfs/dbraw/zinc/53/28/02/1443532802.db2.gz OLAZKBNRQUCLSD-XVNBXDOJSA-N -1 1 375.219 3.245 20 10 GGCDMM Cc1cc(C(=O)OCc2nccs2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737241599 1443652076 /nfs/dbraw/zinc/65/20/76/1443652076.db2.gz LZNLZIKEWHFUTL-UHFFFAOYSA-N -1 1 380.433 3.088 20 10 GGCDMM CCc1noc(C)c1NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825776842 1443852981 /nfs/dbraw/zinc/85/29/81/1443852981.db2.gz LHJHUUAICAGZLP-UHFFFAOYSA-N -1 1 391.435 3.385 20 10 GGCDMM c1cc(N2CCCC2)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823756723 1443980841 /nfs/dbraw/zinc/98/08/41/1443980841.db2.gz GBMPGICKJCVPIH-UHFFFAOYSA-N -1 1 389.419 3.096 20 10 GGCDMM [O-]c1ccc(Br)cc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826510637 1446195408 /nfs/dbraw/zinc/19/54/08/1446195408.db2.gz BTHKURZKQJOORS-UHFFFAOYSA-N -1 1 386.253 3.114 20 10 GGCDMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(N2CCCCC2)cc1 ZINC000738436865 1446290144 /nfs/dbraw/zinc/29/01/44/1446290144.db2.gz KFALFWGJQUMZNZ-UHFFFAOYSA-N -1 1 386.463 3.412 20 10 GGCDMM Cc1cnc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)o1 ZINC000826317700 1446339761 /nfs/dbraw/zinc/33/97/61/1446339761.db2.gz LGDMTWDULZLHGH-CYBMUJFWSA-N -1 1 391.435 3.062 20 10 GGCDMM Cc1cc(C(=O)NC[C@@]2(C)CCCS2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822176877 1446354005 /nfs/dbraw/zinc/35/40/05/1446354005.db2.gz PRKHUQOOCRMGCK-HXUWFJFHSA-N -1 1 396.520 3.290 20 10 GGCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822231753 1446901168 /nfs/dbraw/zinc/90/11/68/1446901168.db2.gz GHMGUDUWNNRUMS-UHFFFAOYSA-N -1 1 396.451 3.405 20 10 GGCDMM Cc1cc(C(=O)N(C)Cc2cscn2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737228053 1447001687 /nfs/dbraw/zinc/00/16/87/1447001687.db2.gz SNBGKFZBORELFN-UHFFFAOYSA-N -1 1 393.476 3.003 20 10 GGCDMM Cn1c(-c2ccccc2)cnc1SC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822591028 1447170769 /nfs/dbraw/zinc/17/07/69/1447170769.db2.gz OXSQAKCNTNBJSO-KRWDZBQOSA-N -1 1 378.461 3.093 20 10 GGCDMM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823229210 1447171007 /nfs/dbraw/zinc/17/10/07/1447171007.db2.gz GVPUOKRAHIVDDS-UHFFFAOYSA-N -1 1 398.854 3.426 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737332875 1447176433 /nfs/dbraw/zinc/17/64/33/1447176433.db2.gz WZDBANDXORXXOI-UHFFFAOYSA-N -1 1 390.422 3.343 20 10 GGCDMM CCCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccccc1O ZINC000821110329 1447283959 /nfs/dbraw/zinc/28/39/59/1447283959.db2.gz ZWQCPRHAVLDJJJ-UHFFFAOYSA-N -1 1 391.435 3.035 20 10 GGCDMM CCCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1O ZINC000821110329 1447283961 /nfs/dbraw/zinc/28/39/61/1447283961.db2.gz ZWQCPRHAVLDJJJ-UHFFFAOYSA-N -1 1 391.435 3.035 20 10 GGCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(OC)c1 ZINC000826209074 1449489448 /nfs/dbraw/zinc/48/94/48/1449489448.db2.gz LNKHDFIDXSOKBT-UHFFFAOYSA-N -1 1 391.378 3.122 20 10 GGCDMM CCN(CC)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736533306 1449856218 /nfs/dbraw/zinc/85/62/18/1449856218.db2.gz YLALDEIZQUWCPN-AQTBWJFISA-N -1 1 388.431 3.057 20 10 GGCDMM CS[C@@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)C1 ZINC000821951305 1449987756 /nfs/dbraw/zinc/98/77/56/1449987756.db2.gz WEELXYZOELQSAJ-NVXWUHKLSA-N -1 1 396.520 3.288 20 10 GGCDMM O=C([O-])C1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1 ZINC001574531462 961897868 /nfs/dbraw/zinc/89/78/68/961897868.db2.gz KHBGUPFONKUWCR-UHFFFAOYSA-N -1 1 382.420 3.264 20 10 GGCDMM CC(C)(C)OC(=O)N1CC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736272104 978316273 /nfs/dbraw/zinc/31/62/73/978316273.db2.gz CHLFZKAWCPPFCW-CYBMUJFWSA-N -1 1 398.887 3.189 20 10 GGCDMM CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736272104 978316279 /nfs/dbraw/zinc/31/62/79/978316279.db2.gz CHLFZKAWCPPFCW-CYBMUJFWSA-N -1 1 398.887 3.189 20 10 GGCDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1C ZINC000762000958 978717502 /nfs/dbraw/zinc/71/75/02/978717502.db2.gz SPSPLYWCDPNVOK-UHFFFAOYSA-N -1 1 379.434 3.295 20 10 GGCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000761995254 978717609 /nfs/dbraw/zinc/71/76/09/978717609.db2.gz IYDVIUVKGNZOCB-UHFFFAOYSA-N -1 1 385.825 3.332 20 10 GGCDMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000793441786 978809660 /nfs/dbraw/zinc/80/96/60/978809660.db2.gz BABIFWNNWWSFDH-UHFFFAOYSA-N -1 1 377.752 3.131 20 10 GGCDMM C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844208698 979359694 /nfs/dbraw/zinc/35/96/94/979359694.db2.gz GBIMTUBRKLCOIL-YHWKNFMLSA-N -1 1 381.432 3.403 20 10 GGCDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000864159586 979774097 /nfs/dbraw/zinc/77/40/97/979774097.db2.gz HAJYRUZJEZZDHK-INIZCTEOSA-N -1 1 383.492 3.024 20 10 GGCDMM CCOCCC[N@H+](Cc1cc(C)cc(Br)c1[O-])C[C@H](C)C(=O)[O-] ZINC001596915058 985938229 /nfs/dbraw/zinc/93/82/29/985938229.db2.gz QYKCHOXDVDIQJB-ZDUSSCGKSA-N -1 1 388.302 3.412 20 10 GGCDMM C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC001599865595 989249137 /nfs/dbraw/zinc/24/91/37/989249137.db2.gz BPJGQDJGUASHGD-GMSGAONNSA-N -1 1 393.075 3.070 20 10 GGCDMM CNC(=O)COc1cc(C(=O)[O-])ccc1NCc1cc(Cl)cc(Cl)c1O ZINC001598646029 994373592 /nfs/dbraw/zinc/37/35/92/994373592.db2.gz HXQRIRVTRSJNDV-UHFFFAOYSA-N -1 1 399.230 3.134 20 10 GGCDMM C[C@]([NH2+]Cc1c([O-])cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285105 994634066 /nfs/dbraw/zinc/63/40/66/994634066.db2.gz BJLGXFJVIMOLEH-MRXNPFEDSA-N -1 1 395.209 3.153 20 10 GGCDMM C[C@@]([NH2+]Cc1c([O-])cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285104 994634601 /nfs/dbraw/zinc/63/46/01/994634601.db2.gz BJLGXFJVIMOLEH-INIZCTEOSA-N -1 1 395.209 3.153 20 10 GGCDMM C[C@@H](Oc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644842 995967353 /nfs/dbraw/zinc/96/73/53/995967353.db2.gz NJQXBQANUDFKHS-QGZVFWFLSA-N -1 1 384.476 3.007 20 10 GGCDMM C[C@@H](Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC001593649229 996001066 /nfs/dbraw/zinc/00/10/66/996001066.db2.gz QCDSEKOVSZKFQO-LLVKDONJSA-N -1 1 380.238 3.296 20 10 GGCDMM COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2[O-])cc(OC)c1 ZINC001599405785 997296079 /nfs/dbraw/zinc/29/60/79/997296079.db2.gz HVOUPTIASKJHMX-UHFFFAOYSA-N -1 1 383.803 3.289 20 10 GGCDMM COc1cc(O)c(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446490 998018424 /nfs/dbraw/zinc/01/84/24/998018424.db2.gz WOFQVSAHKWIINH-LBPRGKRZSA-N -1 1 378.450 3.210 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000267418079 565116967 /nfs/dbraw/zinc/11/69/67/565116967.db2.gz VOLFDAYTGJLPJJ-UHFFFAOYSA-N -1 1 381.881 3.284 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@H](O)CC1 ZINC000293944365 565192036 /nfs/dbraw/zinc/19/20/36/565192036.db2.gz IGYCKGVIRHPPOZ-NSHDSACASA-N -1 1 379.092 3.264 20 10 GGCDMM CCOC(=O)C1([S@](C)=O)CCN([C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556010 565322986 /nfs/dbraw/zinc/32/29/86/565322986.db2.gz RUVKMEDUXLSHPP-MQNRADLISA-N -1 1 387.929 3.273 20 10 GGCDMM Cc1nc(CCNC(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000277615685 565509618 /nfs/dbraw/zinc/50/96/18/565509618.db2.gz WAKUPWCBNRSGGW-UHFFFAOYSA-N -1 1 384.299 3.270 20 10 GGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nnn1CC1CCCC1 ZINC000280042853 565648514 /nfs/dbraw/zinc/64/85/14/565648514.db2.gz GOLUCGHLOIWHQC-UHFFFAOYSA-N -1 1 393.285 3.175 20 10 GGCDMM O=S(=O)(C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC000282837894 565799422 /nfs/dbraw/zinc/79/94/22/565799422.db2.gz VIQSDISNEDQBSG-UHFFFAOYSA-N -1 1 393.336 3.089 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC(CO)CC1 ZINC000179668509 565999284 /nfs/dbraw/zinc/99/92/84/565999284.db2.gz SUMZTVDQNVNGGS-UHFFFAOYSA-N -1 1 379.092 3.122 20 10 GGCDMM CCCN(Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)Cc1ccccc1O ZINC000737020856 599770152 /nfs/dbraw/zinc/77/01/52/599770152.db2.gz MMZOVKKKSCLVJD-UHFFFAOYSA-N -1 1 387.461 3.109 20 10 GGCDMM Cc1cccc(NC[C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000738735593 599959150 /nfs/dbraw/zinc/95/91/50/599959150.db2.gz DFAKLQMQODGDAA-BVBGJJFLSA-N -1 1 382.420 3.334 20 10 GGCDMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000327081315 600423208 /nfs/dbraw/zinc/42/32/08/600423208.db2.gz GFSKZAHMGPVKNE-UHFFFAOYSA-N -1 1 380.853 3.439 20 10 GGCDMM C[C@@H](c1ccccc1)N(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1O ZINC000827951098 601762211 /nfs/dbraw/zinc/76/22/11/601762211.db2.gz UWWWMYGIHOXTAP-KRWDZBQOSA-N -1 1 396.487 3.279 20 10 GGCDMM COc1cc(Br)cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC000831861276 604463751 /nfs/dbraw/zinc/46/37/51/604463751.db2.gz SLWRQIFGLKVSPR-OAHLLOKOSA-N -1 1 392.249 3.175 20 10 GGCDMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000833182999 604747585 /nfs/dbraw/zinc/74/75/85/604747585.db2.gz MPOMDGKVBRKVDR-CPUCHLNUSA-N -1 1 394.899 3.017 20 10 GGCDMM Cc1cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000833752354 605194999 /nfs/dbraw/zinc/19/49/99/605194999.db2.gz RPVHSLDKZHBGPE-GOSISDBHSA-N -1 1 397.519 3.066 20 10 GGCDMM Cc1cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000833753415 605195044 /nfs/dbraw/zinc/19/50/44/605195044.db2.gz UQNPXURDGVCODK-SFHVURJKSA-N -1 1 397.519 3.066 20 10 GGCDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000833497335 605231779 /nfs/dbraw/zinc/23/17/79/605231779.db2.gz JXSPTRSDYGONRD-UHFFFAOYSA-N -1 1 381.064 3.212 20 10 GGCDMM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000833455208 605717799 /nfs/dbraw/zinc/71/77/99/605717799.db2.gz SWGVEUWWLKLZIT-HNNXBMFYSA-N -1 1 382.888 3.017 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1ccc(F)cc1 ZINC000823504684 606389576 /nfs/dbraw/zinc/38/95/76/606389576.db2.gz STNGTVPHJHAZJS-KPKJPENVSA-N -1 1 389.462 3.473 20 10 GGCDMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)n1-c1ccccc1C ZINC000822345174 607107256 /nfs/dbraw/zinc/10/72/56/607107256.db2.gz HAFYLCXOPOVRSJ-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)n1-c1ccccc1C ZINC000822345174 607107257 /nfs/dbraw/zinc/10/72/57/607107257.db2.gz HAFYLCXOPOVRSJ-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM Oc1ccccc1CN(Cc1ccco1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826511262 608585206 /nfs/dbraw/zinc/58/52/06/608585206.db2.gz ISEMRIGFEIFHOV-UHFFFAOYSA-N -1 1 382.811 3.421 20 10 GGCDMM Oc1ccccc1CN(Cc1ccco1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826511262 608585208 /nfs/dbraw/zinc/58/52/08/608585208.db2.gz ISEMRIGFEIFHOV-UHFFFAOYSA-N -1 1 382.811 3.421 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000055112857 1406887866 /nfs/dbraw/zinc/88/78/66/1406887866.db2.gz RUZVNSWUHJNLOK-UHFFFAOYSA-N -1 1 389.477 3.006 20 10 GGCDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000018215398 1399307514 /nfs/dbraw/zinc/30/75/14/1399307514.db2.gz WVDBDXWQXIFYEU-UHFFFAOYSA-N -1 1 381.505 3.299 20 10 GGCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000023398085 1399556805 /nfs/dbraw/zinc/55/68/05/1399556805.db2.gz GEMWINVSSDDWAE-UHFFFAOYSA-N -1 1 395.289 3.166 20 10 GGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000055679159 1407053176 /nfs/dbraw/zinc/05/31/76/1407053176.db2.gz PHNBTCFTVLMUMR-UHFFFAOYSA-N -1 1 386.395 3.343 20 10 GGCDMM CC(C)CN1C(=O)C(=CNc2ccc(-c3nccs3)cc2)C(=O)[N-]C1=S ZINC000060865238 1408044380 /nfs/dbraw/zinc/04/43/80/1408044380.db2.gz NQPZUJVLXCURSW-ZROIWOOFSA-N -1 1 386.502 3.005 20 10 GGCDMM Cc1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1CCc1cccs1 ZINC000067757840 1409222800 /nfs/dbraw/zinc/22/28/00/1409222800.db2.gz HGQCSGVWDLCFCK-UHFFFAOYSA-N -1 1 375.475 3.277 20 10 GGCDMM O=C(NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)c1ccsc1 ZINC000092484785 1410161742 /nfs/dbraw/zinc/16/17/42/1410161742.db2.gz OUQNAZBVLFNVKR-UHFFFAOYSA-N -1 1 395.868 3.410 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000093900372 1410281745 /nfs/dbraw/zinc/28/17/45/1410281745.db2.gz ANKRCRGPHNVJDS-UHFFFAOYSA-N -1 1 375.233 3.323 20 10 GGCDMM CCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885340 1410803981 /nfs/dbraw/zinc/80/39/81/1410803981.db2.gz RJPLOHPKAKLJRO-KRWDZBQOSA-N -1 1 396.487 3.067 20 10 GGCDMM CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885340 1410803982 /nfs/dbraw/zinc/80/39/82/1410803982.db2.gz RJPLOHPKAKLJRO-KRWDZBQOSA-N -1 1 396.487 3.067 20 10 GGCDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000109674016 1411802918 /nfs/dbraw/zinc/80/29/18/1411802918.db2.gz JPVLCGMVDVCKAL-UHFFFAOYSA-N -1 1 396.468 3.431 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)C(F)F)CC2)c1[O-] ZINC000177173918 1428613742 /nfs/dbraw/zinc/61/37/42/1428613742.db2.gz BCYIPQKQSNMLHY-UHFFFAOYSA-N -1 1 382.785 3.266 20 10 GGCDMM COc1ccc(O)c(CNC(=O)CCn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000114544186 1412456830 /nfs/dbraw/zinc/45/68/30/1412456830.db2.gz SPFLEPDIGSPOBZ-UHFFFAOYSA-N -1 1 390.490 3.090 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3c(C)noc3C)CC2)c1[O-] ZINC000177277493 1428668197 /nfs/dbraw/zinc/66/81/97/1428668197.db2.gz OFSDTZPHWOSETI-UHFFFAOYSA-N -1 1 377.872 3.171 20 10 GGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(F)c2ncccc12 ZINC000122114905 1414366062 /nfs/dbraw/zinc/36/60/62/1414366062.db2.gz IWRHPCRDSYNLLS-UHFFFAOYSA-N -1 1 387.436 3.011 20 10 GGCDMM Cc1c(NC(=O)NCc2c(O)ccc3c2CCCC3)cccc1-c1nnn[n-]1 ZINC000822105925 1429098877 /nfs/dbraw/zinc/09/88/77/1429098877.db2.gz YEEGLCRSZUAMTL-UHFFFAOYSA-N -1 1 378.436 3.081 20 10 GGCDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cc2ccccc2o1 ZINC000134009021 1417009492 /nfs/dbraw/zinc/00/94/92/1417009492.db2.gz IUGILRKDSFSKPQ-UHFFFAOYSA-N -1 1 388.514 3.465 20 10 GGCDMM COc1ccc(N2CCC([N-]S(=O)(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000134111429 1417023624 /nfs/dbraw/zinc/02/36/24/1417023624.db2.gz FFBWQDAKEGDIMR-UHFFFAOYSA-N -1 1 386.473 3.389 20 10 GGCDMM Cc1cc(C(=O)N[C@H](C)c2ccc[nH]2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826258332 1429261038 /nfs/dbraw/zinc/26/10/38/1429261038.db2.gz HPJQPOATTDXDJY-CYBMUJFWSA-N -1 1 375.436 3.093 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1CCc1ccccc1 ZINC000823504536 1429261517 /nfs/dbraw/zinc/26/15/17/1429261517.db2.gz RANJZNQIANFCSZ-UVTDQMKNSA-N -1 1 399.526 3.372 20 10 GGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821221547 1429314985 /nfs/dbraw/zinc/31/49/85/1429314985.db2.gz JWQJENJOTTWWGU-OAHLLOKOSA-N -1 1 393.495 3.225 20 10 GGCDMM CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479253 1429332987 /nfs/dbraw/zinc/33/29/87/1429332987.db2.gz GAWBORYHEXRYOB-CQSZACIVSA-N -1 1 380.452 3.255 20 10 GGCDMM C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820366331 1429402524 /nfs/dbraw/zinc/40/25/24/1429402524.db2.gz NFSQOCVVUKQXDE-CYBMUJFWSA-N -1 1 392.463 3.012 20 10 GGCDMM Fc1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1F ZINC000822791523 1429452302 /nfs/dbraw/zinc/45/23/02/1429452302.db2.gz JCHCPTCLAQDIFD-UHFFFAOYSA-N -1 1 381.799 3.112 20 10 GGCDMM CCN(CC)c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417414 1429527064 /nfs/dbraw/zinc/52/70/64/1429527064.db2.gz RFNRENDFKXUWMC-OAQYLSRUSA-N -1 1 392.507 3.286 20 10 GGCDMM Cc1cc(N(C)C)ccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000822206190 1429634209 /nfs/dbraw/zinc/63/42/09/1429634209.db2.gz XNVISTYQUBNQLP-UHFFFAOYSA-N -1 1 395.417 3.102 20 10 GGCDMM Cc1cc(C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737234805 1423507356 /nfs/dbraw/zinc/50/73/56/1423507356.db2.gz QIQACKUEVKESBP-UHFFFAOYSA-N -1 1 398.470 3.473 20 10 GGCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737331858 1423522491 /nfs/dbraw/zinc/52/24/91/1423522491.db2.gz SEPOXCYGDYGWJZ-UHFFFAOYSA-N -1 1 396.451 3.405 20 10 GGCDMM COc1ccc(N2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737100014 1424373019 /nfs/dbraw/zinc/37/30/19/1424373019.db2.gz SOPXXWAJGHEGPR-UHFFFAOYSA-N -1 1 384.871 3.245 20 10 GGCDMM Cc1cc(C(=O)N(C)c2c(C)noc2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822522027 1425162721 /nfs/dbraw/zinc/16/27/21/1425162721.db2.gz BIUZKZLXWLNSBP-UHFFFAOYSA-N -1 1 391.435 3.156 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232940 1425664049 /nfs/dbraw/zinc/66/40/49/1425664049.db2.gz GEYFOYVNVGXWGO-AWEZNQCLSA-N -1 1 387.447 3.160 20 10 GGCDMM CO[C@@H](C)CN(C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C)C(C)C ZINC000736959290 1425768318 /nfs/dbraw/zinc/76/83/18/1425768318.db2.gz AAQKPDLAQJGJQY-HNNXBMFYSA-N -1 1 396.495 3.160 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736531705 1425776150 /nfs/dbraw/zinc/77/61/50/1425776150.db2.gz IEKPHWYIIJGNSV-UHFFFAOYSA-N -1 1 396.470 3.101 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1ccccc1 ZINC000823504626 1425910002 /nfs/dbraw/zinc/91/00/02/1425910002.db2.gz SBOKUDBRSNIKTL-QPEQYQDCSA-N -1 1 385.499 3.330 20 10 GGCDMM [O-]c1ccc2ccncc2c1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511324 1425945422 /nfs/dbraw/zinc/94/54/22/1425945422.db2.gz LEICRWYKAVFZGM-UHFFFAOYSA-N -1 1 384.443 3.410 20 10 GGCDMM [O-]c1ccc2ccncc2c1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511324 1425945425 /nfs/dbraw/zinc/94/54/25/1425945425.db2.gz LEICRWYKAVFZGM-UHFFFAOYSA-N -1 1 384.443 3.410 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc(F)cc2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177053 1426679816 /nfs/dbraw/zinc/67/98/16/1426679816.db2.gz SCJDLQXZUFNJKQ-UHFFFAOYSA-N -1 1 392.394 3.371 20 10 GGCDMM Cc1cc(C(=O)NC[C@H]2CC=CCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737235448 1426844528 /nfs/dbraw/zinc/84/45/28/1426844528.db2.gz VFFLYONDLMXZJB-INIZCTEOSA-N -1 1 376.464 3.360 20 10 GGCDMM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823254476 1427144210 /nfs/dbraw/zinc/14/42/10/1427144210.db2.gz VTWYWZRLQLOCBS-UHFFFAOYSA-N -1 1 395.854 3.218 20 10 GGCDMM Cc1cc(C)c2c(N)c(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)sc2n1 ZINC000737249087 1427229850 /nfs/dbraw/zinc/22/98/50/1427229850.db2.gz RLOOCPRNHPVBAW-UHFFFAOYSA-N -1 1 398.423 3.172 20 10 GGCDMM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826168408 1427252328 /nfs/dbraw/zinc/25/23/28/1427252328.db2.gz LTRJETSDWNVABU-UHFFFAOYSA-N -1 1 378.480 3.106 20 10 GGCDMM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826168408 1427252336 /nfs/dbraw/zinc/25/23/36/1427252336.db2.gz LTRJETSDWNVABU-UHFFFAOYSA-N -1 1 378.480 3.106 20 10 GGCDMM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821496529 1427546077 /nfs/dbraw/zinc/54/60/77/1427546077.db2.gz HMXVSBKWHTVCOC-NTEUORMPSA-N -1 1 383.458 3.428 20 10 GGCDMM CCOc1ccc(N(CC)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821422101 1427796641 /nfs/dbraw/zinc/79/66/41/1427796641.db2.gz NIKHHPKCUDCVFZ-UHFFFAOYSA-N -1 1 391.435 3.342 20 10 GGCDMM Clc1ccc(NCc2ccc(N3CCSCC3)cc2)nc1-c1nnn[n-]1 ZINC000737572984 1427985259 /nfs/dbraw/zinc/98/52/59/1427985259.db2.gz CGNFWHYWJTYUMP-UHFFFAOYSA-N -1 1 387.900 3.080 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736278190 1429908612 /nfs/dbraw/zinc/90/86/12/1429908612.db2.gz DVWALMNYZKYAHF-UHFFFAOYSA-N -1 1 376.464 3.033 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c(C)c1 ZINC000822241098 1429939936 /nfs/dbraw/zinc/93/99/36/1429939936.db2.gz KZFVNCVMRMTZLT-ZSOIEALJSA-N -1 1 383.458 3.482 20 10 GGCDMM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000820165983 1430220550 /nfs/dbraw/zinc/22/05/50/1430220550.db2.gz UGJFTUINOGPESA-UHFFFAOYSA-N -1 1 382.424 3.023 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000184837174 1430998088 /nfs/dbraw/zinc/99/80/88/1430998088.db2.gz NVVFTXWSNIWYPD-UHFFFAOYSA-N -1 1 399.350 3.500 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)c1 ZINC000184836739 1430998320 /nfs/dbraw/zinc/99/83/20/1430998320.db2.gz JQOWRTDWXPSFFU-UHFFFAOYSA-N -1 1 389.477 3.282 20 10 GGCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000187705254 1431802053 /nfs/dbraw/zinc/80/20/53/1431802053.db2.gz UZWKTWXJTFJXDR-HXUWFJFHSA-N -1 1 379.460 3.151 20 10 GGCDMM COC(=O)CCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195082809 1433290231 /nfs/dbraw/zinc/29/02/31/1433290231.db2.gz CJPUEYIYTWTDEF-UHFFFAOYSA-N -1 1 380.803 3.090 20 10 GGCDMM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000195225860 1433309280 /nfs/dbraw/zinc/30/92/80/1433309280.db2.gz SCHAHMFXEXTRDP-UHFFFAOYSA-N -1 1 388.489 3.264 20 10 GGCDMM Nc1ccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000237926553 1433435178 /nfs/dbraw/zinc/43/51/78/1433435178.db2.gz HRZNGFXYTPWKNP-UHFFFAOYSA-N -1 1 381.457 3.251 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271443583 1434825123 /nfs/dbraw/zinc/82/51/23/1434825123.db2.gz RGLLZICGDKASLK-UHFFFAOYSA-N -1 1 378.450 3.153 20 10 GGCDMM CCOc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000273939825 1435030340 /nfs/dbraw/zinc/03/03/40/1435030340.db2.gz JZUKIKTVHLMIOE-UHFFFAOYSA-N -1 1 390.867 3.211 20 10 GGCDMM CCCCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1[C@@H](CC)N(C)C ZINC000274187296 1435049644 /nfs/dbraw/zinc/04/96/44/1435049644.db2.gz YXDXICAMVMTYRF-CQSZACIVSA-N -1 1 392.525 3.477 20 10 GGCDMM CC(C)(Cc1ccccc1)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000278140875 1435363615 /nfs/dbraw/zinc/36/36/15/1435363615.db2.gz IBSPFNXTGQLQIS-UHFFFAOYSA-N -1 1 387.461 3.334 20 10 GGCDMM CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000278792549 1435424163 /nfs/dbraw/zinc/42/41/63/1435424163.db2.gz WULRMGZIJBALDQ-UHFFFAOYSA-N -1 1 399.278 3.373 20 10 GGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000278847500 1435430686 /nfs/dbraw/zinc/43/06/86/1435430686.db2.gz TYULBQNBEHXQRK-AWEZNQCLSA-N -1 1 385.313 3.469 20 10 GGCDMM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC000826512335 1441545917 /nfs/dbraw/zinc/54/59/17/1441545917.db2.gz XJDCEQQGXMKTFL-UHFFFAOYSA-N -1 1 385.884 3.322 20 10 GGCDMM Cc1cc(C(=O)Nc2cccc(CO)c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826260442 1441794172 /nfs/dbraw/zinc/79/41/72/1441794172.db2.gz OBHYREGYOPFGKA-UHFFFAOYSA-N -1 1 388.431 3.019 20 10 GGCDMM Fc1cc(F)cc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737653964 1441799151 /nfs/dbraw/zinc/79/91/51/1441799151.db2.gz UUEOBFHTKDZUPX-UHFFFAOYSA-N -1 1 381.799 3.112 20 10 GGCDMM Cc1cc(C(=O)NCc2ccccc2F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236701 1442233636 /nfs/dbraw/zinc/23/36/36/1442233636.db2.gz QQZLTZXGOSGEJK-UHFFFAOYSA-N -1 1 390.422 3.343 20 10 GGCDMM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737105270 1442274984 /nfs/dbraw/zinc/27/49/84/1442274984.db2.gz GBKVFXPZTACGTE-NSHDSACASA-N -1 1 399.455 3.020 20 10 GGCDMM CCN(Cc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000736556267 1442330790 /nfs/dbraw/zinc/33/07/90/1442330790.db2.gz PTDLBCPUFVQOTI-UHFFFAOYSA-N -1 1 378.436 3.163 20 10 GGCDMM COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1-c1nnn[n-]1 ZINC000737083131 1442416129 /nfs/dbraw/zinc/41/61/29/1442416129.db2.gz NHMRZBBYZXAWFP-XNTDXEJSSA-N -1 1 395.469 3.281 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccccc1F ZINC000823505154 1442446094 /nfs/dbraw/zinc/44/60/94/1442446094.db2.gz YDPRCLOEYHUZSP-GHXNOFRVSA-N -1 1 389.462 3.473 20 10 GGCDMM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)CCS1 ZINC000820989007 1443120508 /nfs/dbraw/zinc/12/05/08/1443120508.db2.gz KERLGAMYBMOJQZ-QGZVFWFLSA-N -1 1 396.520 3.242 20 10 GGCDMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821486567 1443218522 /nfs/dbraw/zinc/21/85/22/1443218522.db2.gz GWOZAWMHNZDKTR-NTEUORMPSA-N -1 1 383.458 3.428 20 10 GGCDMM CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Br)ccc1[O-] ZINC000821222476 1443371234 /nfs/dbraw/zinc/37/12/34/1443371234.db2.gz UPYLSOINYGLOMQ-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Br)ccc1[O-] ZINC000821222476 1443371239 /nfs/dbraw/zinc/37/12/39/1443371239.db2.gz UPYLSOINYGLOMQ-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM Cc1cc(C(=O)NCc2cccs2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236815 1443404914 /nfs/dbraw/zinc/40/49/14/1443404914.db2.gz SEVGSMLXOIHQBC-UHFFFAOYSA-N -1 1 378.461 3.266 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000737238810 1443516252 /nfs/dbraw/zinc/51/62/52/1443516252.db2.gz UQKFUSYYWSGAKH-UHFFFAOYSA-N -1 1 377.383 3.061 20 10 GGCDMM CC1CCN(c2ccc(CNC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736278142 1443781842 /nfs/dbraw/zinc/78/18/42/1443781842.db2.gz DBRVTVKWNBNPJG-UHFFFAOYSA-N -1 1 391.479 3.425 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1cccs1 ZINC000823504466 1443862268 /nfs/dbraw/zinc/86/22/68/1443862268.db2.gz QMSHHBRJZKAHFD-IZZDOVSWSA-N -1 1 391.528 3.391 20 10 GGCDMM Cc1csc(N(C)C(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)n1 ZINC000737452408 1443892156 /nfs/dbraw/zinc/89/21/56/1443892156.db2.gz JALPPFFASLYKMM-UHFFFAOYSA-N -1 1 393.476 3.316 20 10 GGCDMM [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511253 1443930905 /nfs/dbraw/zinc/93/09/05/1443930905.db2.gz IJTQGEUQVHNKPJ-UHFFFAOYSA-N -1 1 385.855 3.269 20 10 GGCDMM CC(=O)CCCCOC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819782887 1443975668 /nfs/dbraw/zinc/97/56/68/1443975668.db2.gz QXENYOMGRYKWRJ-UHFFFAOYSA-N -1 1 381.436 3.190 20 10 GGCDMM COc1ccc(-c2nnn[n-]2)cc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000826181733 1446106415 /nfs/dbraw/zinc/10/64/15/1446106415.db2.gz LVWZSNQOTXRPRK-UHFFFAOYSA-N -1 1 392.507 3.498 20 10 GGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1C ZINC000822241560 1446337791 /nfs/dbraw/zinc/33/77/91/1446337791.db2.gz ZRQONQJSZYMSMK-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM Oc1ccccc1CN(CCOc1ccccc1-c1nnn[n-]1)Cc1ccco1 ZINC000738400150 1446384271 /nfs/dbraw/zinc/38/42/71/1446384271.db2.gz DQFQCRQOHMYRRO-UHFFFAOYSA-N -1 1 391.431 3.247 20 10 GGCDMM Oc1ccccc1CN(Cc1ccco1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826511327 1446431175 /nfs/dbraw/zinc/43/11/75/1446431175.db2.gz LEQSXBMQBLUOPM-UHFFFAOYSA-N -1 1 382.811 3.421 20 10 GGCDMM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821491944 1446482661 /nfs/dbraw/zinc/48/26/61/1446482661.db2.gz DJOIRSIQANXPGL-ZROIWOOFSA-N -1 1 383.458 3.428 20 10 GGCDMM CN(C(=O)C=Cc1cnc2ccccc2n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569523 1446942751 /nfs/dbraw/zinc/94/27/51/1446942751.db2.gz NAJCGEYGWCIEOU-VQHVLOKHSA-N -1 1 391.822 3.140 20 10 GGCDMM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571322 1449583841 /nfs/dbraw/zinc/58/38/41/1449583841.db2.gz YEQDTUCPEMSXPM-ADVUTCEVSA-N -1 1 383.458 3.422 20 10 GGCDMM CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1[O-] ZINC000821221000 1450501717 /nfs/dbraw/zinc/50/17/17/1450501717.db2.gz HJNQVTDSPHJDNE-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1[O-] ZINC000821221000 1450501720 /nfs/dbraw/zinc/50/17/20/1450501720.db2.gz HJNQVTDSPHJDNE-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM COc1ccc(N2CCC(Nc3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737099931 1450505404 /nfs/dbraw/zinc/50/54/04/1450505404.db2.gz QQLFBYYERXHWHZ-UHFFFAOYSA-N -1 1 385.859 3.005 20 10 GGCDMM O=C([O-])[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892874 972696762 /nfs/dbraw/zinc/69/67/62/972696762.db2.gz JQEGIZQGNKZUEH-SJLPKXTDSA-N -1 1 394.899 3.017 20 10 GGCDMM O=C([O-])[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892872 972696890 /nfs/dbraw/zinc/69/68/90/972696890.db2.gz JQEGIZQGNKZUEH-AEFFLSMTSA-N -1 1 394.899 3.017 20 10 GGCDMM CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1O ZINC000811704290 978855775 /nfs/dbraw/zinc/85/57/75/978855775.db2.gz DGIIZCYVHMWXDP-UHFFFAOYSA-N -1 1 399.852 3.470 20 10 GGCDMM CCN1CCN(c2ccc(CNc3ncc(C(=O)[O-])cc3Cl)cc2F)CC1 ZINC000843034110 979327937 /nfs/dbraw/zinc/32/79/37/979327937.db2.gz CPICWIYNHYCBMF-UHFFFAOYSA-N -1 1 392.862 3.326 20 10 GGCDMM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844208697 979359961 /nfs/dbraw/zinc/35/99/61/979359961.db2.gz GBIMTUBRKLCOIL-XAVKZTDYSA-N -1 1 381.432 3.403 20 10 GGCDMM C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844208695 979360013 /nfs/dbraw/zinc/36/00/13/979360013.db2.gz GBIMTUBRKLCOIL-DZZUKKPASA-N -1 1 381.432 3.403 20 10 GGCDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1C ZINC000864159598 979773918 /nfs/dbraw/zinc/77/39/18/979773918.db2.gz HMTXZNUDPSVCSC-MRXNPFEDSA-N -1 1 383.492 3.024 20 10 GGCDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1C ZINC000864159597 979774126 /nfs/dbraw/zinc/77/41/26/979774126.db2.gz HMTXZNUDPSVCSC-INIZCTEOSA-N -1 1 383.492 3.024 20 10 GGCDMM CCOCCC[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H](C)C(=O)[O-] ZINC001596914809 985935182 /nfs/dbraw/zinc/93/51/82/985935182.db2.gz KLQLSQHLSSZEFS-LLVKDONJSA-N -1 1 392.265 3.243 20 10 GGCDMM CCc1nc(SCC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)n[nH]1 ZINC001597735827 989080821 /nfs/dbraw/zinc/08/08/21/989080821.db2.gz JSTMMNCBJAUPHE-UHFFFAOYSA-N -1 1 384.461 3.448 20 10 GGCDMM CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)n1 ZINC001597735827 989080828 /nfs/dbraw/zinc/08/08/28/989080828.db2.gz JSTMMNCBJAUPHE-UHFFFAOYSA-N -1 1 384.461 3.448 20 10 GGCDMM CC(C)(C)OCCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001590381530 989893975 /nfs/dbraw/zinc/89/39/75/989893975.db2.gz BSIXVINTNDRXET-VURMDHGXSA-N -1 1 391.468 3.020 20 10 GGCDMM CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC001591304697 992253775 /nfs/dbraw/zinc/25/37/75/992253775.db2.gz DIDFLDFRTBTNLP-UHFFFAOYSA-N -1 1 395.091 3.460 20 10 GGCDMM CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524836 992706835 /nfs/dbraw/zinc/70/68/35/992706835.db2.gz KMSNJKOLWYGPMX-FQEVSTJZSA-N -1 1 385.460 3.425 20 10 GGCDMM C[C@H](Oc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644840 995967439 /nfs/dbraw/zinc/96/74/39/995967439.db2.gz NJQXBQANUDFKHS-KRWDZBQOSA-N -1 1 384.476 3.007 20 10 GGCDMM COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc(OC)c1OC ZINC001599405826 997296433 /nfs/dbraw/zinc/29/64/33/997296433.db2.gz KNPNMLXWGVEOJE-UHFFFAOYSA-N -1 1 395.839 3.158 20 10 GGCDMM COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc(OC)c1OC ZINC001599405826 997296439 /nfs/dbraw/zinc/29/64/39/997296439.db2.gz KNPNMLXWGVEOJE-UHFFFAOYSA-N -1 1 395.839 3.158 20 10 GGCDMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC001599329733 997726948 /nfs/dbraw/zinc/72/69/48/997726948.db2.gz DMDBVODOWRLRED-UHFFFAOYSA-N -1 1 399.852 3.478 20 10 GGCDMM COc1ccc(CNCc2ccc(C(=O)[O-])cc2Br)c(O)c1OC ZINC001599573213 998398484 /nfs/dbraw/zinc/39/84/84/998398484.db2.gz VGYRYGUVXQVGGJ-UHFFFAOYSA-N -1 1 396.237 3.160 20 10 GGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000268001162 565136963 /nfs/dbraw/zinc/13/69/63/565136963.db2.gz NIACGNPGVZSGOF-UHFFFAOYSA-N -1 1 383.491 3.028 20 10 GGCDMM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1 ZINC000371412051 565192314 /nfs/dbraw/zinc/19/23/14/565192314.db2.gz SDUUAQPJIAFFMJ-UHFFFAOYSA-N -1 1 384.263 3.390 20 10 GGCDMM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556013 565323021 /nfs/dbraw/zinc/32/30/21/565323021.db2.gz RUVKMEDUXLSHPP-ODCWNRFASA-N -1 1 387.929 3.273 20 10 GGCDMM CCOC(=O)C1([S@@](C)=O)CCN([C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556016 565323096 /nfs/dbraw/zinc/32/30/96/565323096.db2.gz RUVKMEDUXLSHPP-SGANQWHYSA-N -1 1 387.929 3.273 20 10 GGCDMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277402562 565494569 /nfs/dbraw/zinc/49/45/69/565494569.db2.gz BMHMYSRDUZIRLM-JTQLQIEISA-N -1 1 380.286 3.000 20 10 GGCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)C1CCCCC1 ZINC000277451630 565497972 /nfs/dbraw/zinc/49/79/72/565497972.db2.gz GFPYQBWMRXIAJK-LBPRGKRZSA-N -1 1 397.313 3.246 20 10 GGCDMM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277616299 565509437 /nfs/dbraw/zinc/50/94/37/565509437.db2.gz VTUFAWKWMOYPEM-CQSZACIVSA-N -1 1 397.313 3.198 20 10 GGCDMM Cc1nn(CC(F)(F)F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277646687 565512251 /nfs/dbraw/zinc/51/22/51/565512251.db2.gz YKWHIBVGUAVIJY-UHFFFAOYSA-N -1 1 392.175 3.152 20 10 GGCDMM CCOC(=O)C1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277827051 565522264 /nfs/dbraw/zinc/52/22/64/565522264.db2.gz XCHNXSRWLVVHRM-UHFFFAOYSA-N -1 1 399.285 3.076 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc2c(s1)COCC2 ZINC000278101278 565539682 /nfs/dbraw/zinc/53/96/82/565539682.db2.gz QMECOSFBZVEAIU-UHFFFAOYSA-N -1 1 384.255 3.006 20 10 GGCDMM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000280100934 565651590 /nfs/dbraw/zinc/65/15/90/565651590.db2.gz ARUFFWOGGBGOCX-UHFFFAOYSA-N -1 1 390.870 3.099 20 10 GGCDMM CCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C(F)(F)F)n1 ZINC000280978272 565706809 /nfs/dbraw/zinc/70/68/09/565706809.db2.gz IYQHIJMATGRASV-UHFFFAOYSA-N -1 1 392.175 3.320 20 10 GGCDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc4nsnc43)cc21 ZINC000192733176 565707349 /nfs/dbraw/zinc/70/73/49/565707349.db2.gz TVVAYJWOMXJJFQ-UHFFFAOYSA-N -1 1 379.850 3.274 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1C ZINC000176694316 565795614 /nfs/dbraw/zinc/79/56/14/565795614.db2.gz AFCRTWDBLSANLR-UHFFFAOYSA-N -1 1 386.470 3.005 20 10 GGCDMM COCCc1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000287415142 566016751 /nfs/dbraw/zinc/01/67/51/566016751.db2.gz RUBWKNBNQIBDGG-UHFFFAOYSA-N -1 1 380.242 3.060 20 10 GGCDMM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc2nsnc21 ZINC000599926423 566302752 /nfs/dbraw/zinc/30/27/52/566302752.db2.gz ZWHIYOHIGZJBLG-UHFFFAOYSA-N -1 1 388.243 3.394 20 10 GGCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)ccc1[O-] ZINC000569066664 567376813 /nfs/dbraw/zinc/37/68/13/567376813.db2.gz VMELYRMZKDHHCW-UHFFFAOYSA-N -1 1 377.238 3.260 20 10 GGCDMM CCN(CC)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1F ZINC000736531988 598966753 /nfs/dbraw/zinc/96/67/53/598966753.db2.gz OGXYRKYDRVMCKM-UHFFFAOYSA-N -1 1 392.442 3.407 20 10 GGCDMM CCN(CC)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1F ZINC000736531988 598966754 /nfs/dbraw/zinc/96/67/54/598966754.db2.gz OGXYRKYDRVMCKM-UHFFFAOYSA-N -1 1 392.442 3.407 20 10 GGCDMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821486568 599309056 /nfs/dbraw/zinc/30/90/56/599309056.db2.gz GWOZAWMHNZDKTR-ZROIWOOFSA-N -1 1 383.458 3.428 20 10 GGCDMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821486568 599309059 /nfs/dbraw/zinc/30/90/59/599309059.db2.gz GWOZAWMHNZDKTR-ZROIWOOFSA-N -1 1 383.458 3.428 20 10 GGCDMM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821431024 599311447 /nfs/dbraw/zinc/31/14/47/599311447.db2.gz KCNFVVCQVRUTET-ZROIWOOFSA-N -1 1 399.457 3.264 20 10 GGCDMM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000821431024 599311448 /nfs/dbraw/zinc/31/14/48/599311448.db2.gz KCNFVVCQVRUTET-ZROIWOOFSA-N -1 1 399.457 3.264 20 10 GGCDMM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820703458 599312054 /nfs/dbraw/zinc/31/20/54/599312054.db2.gz FTCWQQLYSGTUHI-ANYQKZHNSA-N -1 1 375.479 3.240 20 10 GGCDMM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000820703458 599312057 /nfs/dbraw/zinc/31/20/57/599312057.db2.gz FTCWQQLYSGTUHI-ANYQKZHNSA-N -1 1 375.479 3.240 20 10 GGCDMM Cc1cccc(NC[C@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000738735608 599958783 /nfs/dbraw/zinc/95/87/83/599958783.db2.gz DFAKLQMQODGDAA-QKIRZYONSA-N -1 1 382.420 3.334 20 10 GGCDMM Cc1cccc(NC[C@@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000738735597 599958877 /nfs/dbraw/zinc/95/88/77/599958877.db2.gz DFAKLQMQODGDAA-IOBAAEILSA-N -1 1 382.420 3.334 20 10 GGCDMM Cc1ccnc(NC[C@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738798927 599959381 /nfs/dbraw/zinc/95/93/81/599959381.db2.gz UZJGJLLUXFSNQN-OICCZTGUSA-N -1 1 382.420 3.334 20 10 GGCDMM CCN1CCN(c2ccc(CNc3nc(Cl)c(C(=O)[O-])s3)cc2F)CC1 ZINC000737123360 600008455 /nfs/dbraw/zinc/00/84/55/600008455.db2.gz UEPAUQYGJZBCPF-UHFFFAOYSA-N -1 1 398.891 3.388 20 10 GGCDMM Cc1ncc(CN2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)s1 ZINC000738884816 600280339 /nfs/dbraw/zinc/28/03/39/600280339.db2.gz DNQNYFLXDHGOLQ-UHFFFAOYSA-N -1 1 397.500 3.326 20 10 GGCDMM CC(=O)c1ccccc1OCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736195608 600314267 /nfs/dbraw/zinc/31/42/67/600314267.db2.gz AJHFBCOZCGKZPB-UHFFFAOYSA-N -1 1 377.824 3.214 20 10 GGCDMM CC(=O)c1ccccc1OCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736195608 600314270 /nfs/dbraw/zinc/31/42/70/600314270.db2.gz AJHFBCOZCGKZPB-UHFFFAOYSA-N -1 1 377.824 3.214 20 10 GGCDMM Cc1cc(C(=O)CN2CCC3(C2)CCOCC3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860112 601052022 /nfs/dbraw/zinc/05/20/22/601052022.db2.gz YUCVAGIAYKWMTN-UHFFFAOYSA-N -1 1 396.487 3.478 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833029922 601371717 /nfs/dbraw/zinc/37/17/17/601371717.db2.gz MDHVPKRCBUBBSW-JOCHJYFZSA-N -1 1 397.402 3.473 20 10 GGCDMM Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@](F)(C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000833029922 601371719 /nfs/dbraw/zinc/37/17/19/601371719.db2.gz MDHVPKRCBUBBSW-JOCHJYFZSA-N -1 1 397.402 3.473 20 10 GGCDMM COc1ccc(N(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC(C)C)cc1 ZINC000826209088 607644467 /nfs/dbraw/zinc/64/44/67/607644467.db2.gz MDEZSTJKBJEDLC-UHFFFAOYSA-N -1 1 398.467 3.186 20 10 GGCDMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000833182998 604747372 /nfs/dbraw/zinc/74/73/72/604747372.db2.gz MPOMDGKVBRKVDR-CKEIUWERSA-N -1 1 394.899 3.017 20 10 GGCDMM CC(C)N(CC(=O)NCc1ccc(NC(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC000826935472 604967442 /nfs/dbraw/zinc/96/74/42/604967442.db2.gz BTLRUXXAYOGUCX-UHFFFAOYSA-N -1 1 398.507 3.369 20 10 GGCDMM CN(C)c1ccc(CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C2CC2)cc1 ZINC000830635425 604967739 /nfs/dbraw/zinc/96/77/39/604967739.db2.gz MOONNXRURIWRNB-UHFFFAOYSA-N -1 1 396.491 3.123 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503739 606394556 /nfs/dbraw/zinc/39/45/56/606394556.db2.gz IBUQENTUYOHKEP-GHXNOFRVSA-N -1 1 389.531 3.318 20 10 GGCDMM Oc1cccc(Cl)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826511633 609320726 /nfs/dbraw/zinc/32/07/26/609320726.db2.gz YDERRPKAMRKVEL-UHFFFAOYSA-N -1 1 385.790 3.163 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC000825552979 609490624 /nfs/dbraw/zinc/49/06/24/609490624.db2.gz GWYXWAZERNCUOA-UHFFFAOYSA-N -1 1 388.815 3.406 20 10 GGCDMM COc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)cc1OC ZINC000006035665 1398522949 /nfs/dbraw/zinc/52/29/49/1398522949.db2.gz LKSLDFGTMFORJE-UHFFFAOYSA-N -1 1 388.401 3.140 20 10 GGCDMM Fc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1N1CCOCC1 ZINC000737645010 1426331372 /nfs/dbraw/zinc/33/13/72/1426331372.db2.gz NKPSMITUOXKEDX-UHFFFAOYSA-N -1 1 388.834 3.108 20 10 GGCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000066638058 1408875409 /nfs/dbraw/zinc/87/54/09/1408875409.db2.gz ZEYKSEKBXQDGAW-UHFFFAOYSA-N -1 1 392.488 3.485 20 10 GGCDMM CCn1c(CCNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[n-]c1=S ZINC000067075598 1409003039 /nfs/dbraw/zinc/00/30/39/1409003039.db2.gz PADYTDCWQWTQLH-UHFFFAOYSA-N -1 1 387.484 3.480 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1[O-] ZINC000176994258 1428545272 /nfs/dbraw/zinc/54/52/72/1428545272.db2.gz XKMNLJPCSDWEIV-UHFFFAOYSA-N -1 1 398.894 3.214 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3csc(C)n3)CC2)c1[O-] ZINC000177014657 1428554532 /nfs/dbraw/zinc/55/45/32/1428554532.db2.gz VKFFMCCYZRSFMX-UHFFFAOYSA-N -1 1 379.913 3.331 20 10 GGCDMM O=C(NCc1ccccc1O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000110229379 1411839100 /nfs/dbraw/zinc/83/91/00/1411839100.db2.gz AFWIJVYHBPMKBE-IBGZPJMESA-N -1 1 390.439 3.172 20 10 GGCDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc2C[C@H]1C ZINC000111995227 1412064595 /nfs/dbraw/zinc/06/45/95/1412064595.db2.gz DMOMFPKPMAQKIS-OAHLLOKOSA-N -1 1 399.516 3.385 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1[O-] ZINC000177250468 1428651945 /nfs/dbraw/zinc/65/19/45/1428651945.db2.gz AEDUSRVGLPDWTF-KRWDZBQOSA-N -1 1 376.840 3.122 20 10 GGCDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000117365241 1413031923 /nfs/dbraw/zinc/03/19/23/1413031923.db2.gz YGMGJAYCDGSZIL-UHFFFAOYSA-N -1 1 393.899 3.165 20 10 GGCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(N4CCCCCC4)c3)cc12 ZINC000119944571 1413627167 /nfs/dbraw/zinc/62/71/67/1413627167.db2.gz UHZVKPWVZSFXIQ-UHFFFAOYSA-N -1 1 399.520 3.458 20 10 GGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000121007594 1413975526 /nfs/dbraw/zinc/97/55/26/1413975526.db2.gz ZOHDDXFCDNYHEJ-GOSISDBHSA-N -1 1 390.439 3.377 20 10 GGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000121007594 1413975529 /nfs/dbraw/zinc/97/55/29/1413975529.db2.gz ZOHDDXFCDNYHEJ-GOSISDBHSA-N -1 1 390.439 3.377 20 10 GGCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000124071854 1414880511 /nfs/dbraw/zinc/88/05/11/1414880511.db2.gz QGDGHGQQUIOBDE-UHFFFAOYSA-N -1 1 388.898 3.211 20 10 GGCDMM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2cccc(Cl)c21 ZINC000124248514 1414919844 /nfs/dbraw/zinc/91/98/44/1414919844.db2.gz MCWUWENWLLHWJO-UHFFFAOYSA-N -1 1 394.880 3.355 20 10 GGCDMM COC(=O)CCCc1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000126072748 1415351425 /nfs/dbraw/zinc/35/14/25/1415351425.db2.gz PDTSHZJFFRXJOL-UHFFFAOYSA-N -1 1 386.271 3.114 20 10 GGCDMM CN(C)c1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1F ZINC000825879424 1428959860 /nfs/dbraw/zinc/95/98/60/1428959860.db2.gz MYZDSFDBMAYOOH-UHFFFAOYSA-N -1 1 396.405 3.009 20 10 GGCDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc21 ZINC000132271364 1416727228 /nfs/dbraw/zinc/72/72/28/1416727228.db2.gz HWHRLSMPAIKFSE-UHFFFAOYSA-N -1 1 399.516 3.387 20 10 GGCDMM Clc1ccc(C2=CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cn1 ZINC000826351608 1429138008 /nfs/dbraw/zinc/13/80/08/1429138008.db2.gz SSZFYXJERGFJFV-UHFFFAOYSA-N -1 1 390.838 3.152 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1ccccc1 ZINC000823503171 1429146428 /nfs/dbraw/zinc/14/64/28/1429146428.db2.gz CHWABZORQXAKHK-MDWZMJQESA-N -1 1 385.499 3.330 20 10 GGCDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000146770438 1417730852 /nfs/dbraw/zinc/73/08/52/1417730852.db2.gz RFANXWABDGGYCU-UHFFFAOYSA-N -1 1 395.868 3.327 20 10 GGCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)ccc1O ZINC000148136804 1417760220 /nfs/dbraw/zinc/76/02/20/1417760220.db2.gz KEWLTQMHVWOSFZ-UHFFFAOYSA-N -1 1 392.252 3.024 20 10 GGCDMM CSCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737180311 1429455026 /nfs/dbraw/zinc/45/50/26/1429455026.db2.gz FHXPHYIRDAWLAV-LBPRGKRZSA-N -1 1 384.509 3.146 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000825553817 1429459288 /nfs/dbraw/zinc/45/92/88/1429459288.db2.gz XSNHVXPZZZYDJI-UHFFFAOYSA-N -1 1 381.440 3.113 20 10 GGCDMM O=[N+]([O-])c1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1N1CCCCC1 ZINC000826497511 1429604162 /nfs/dbraw/zinc/60/41/62/1429604162.db2.gz JQLOWUDNAFGRBY-UHFFFAOYSA-N -1 1 379.424 3.377 20 10 GGCDMM O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738342920 1423764410 /nfs/dbraw/zinc/76/44/10/1423764410.db2.gz STVHTNLCDGZMQI-UHFFFAOYSA-N -1 1 398.492 3.048 20 10 GGCDMM CN1CCCc2cc(CNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)ccc21 ZINC000736857218 1423796764 /nfs/dbraw/zinc/79/67/64/1423796764.db2.gz OCFYAHDNIOPVCC-UHFFFAOYSA-N -1 1 389.385 3.275 20 10 GGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000027157276 1424101890 /nfs/dbraw/zinc/10/18/90/1424101890.db2.gz QLMGEUFYZMPBFS-UHFFFAOYSA-N -1 1 376.464 3.129 20 10 GGCDMM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822231934 1424742611 /nfs/dbraw/zinc/74/26/11/1424742611.db2.gz NGPDOYPIBFPMIT-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM Cc1cc(C(=O)OCc2c(C)noc2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737536616 1424874817 /nfs/dbraw/zinc/87/48/17/1424874817.db2.gz KDBBGRGYRMLFQR-UHFFFAOYSA-N -1 1 392.419 3.236 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1ccccc1 ZINC000823504621 1425047798 /nfs/dbraw/zinc/04/77/98/1425047798.db2.gz SBOKUDBRSNIKTL-NTUHNPAUSA-N -1 1 385.499 3.330 20 10 GGCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825880210 1425157335 /nfs/dbraw/zinc/15/73/35/1425157335.db2.gz YLXGHIQTDAXKEH-UHFFFAOYSA-N -1 1 399.842 3.017 20 10 GGCDMM Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737238543 1425444786 /nfs/dbraw/zinc/44/47/86/1425444786.db2.gz OMRNRVKRIHUHMH-UHFFFAOYSA-N -1 1 381.436 3.046 20 10 GGCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770395 1425826022 /nfs/dbraw/zinc/82/60/22/1425826022.db2.gz JYMXEPNZRGZCQK-CQSZACIVSA-N -1 1 388.431 3.304 20 10 GGCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000821827810 1425940102 /nfs/dbraw/zinc/94/01/02/1425940102.db2.gz JUHKQFRFHBPVCB-UHFFFAOYSA-N -1 1 379.342 3.252 20 10 GGCDMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000172858493 1426224024 /nfs/dbraw/zinc/22/40/24/1426224024.db2.gz BBIHMJLICYBGIC-OAHLLOKOSA-N -1 1 383.286 3.404 20 10 GGCDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000826244076 1426366119 /nfs/dbraw/zinc/36/61/19/1426366119.db2.gz GEVNICFAZDTABN-UHFFFAOYSA-N -1 1 378.480 3.292 20 10 GGCDMM CC[C@@H](CSC)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825128437 1426415761 /nfs/dbraw/zinc/41/57/61/1426415761.db2.gz UGOBVMKRXHFLQA-HNNXBMFYSA-N -1 1 384.509 3.146 20 10 GGCDMM c1cc(-c2nnn[n-]2)cc(-c2nnc(COc3ccc(N4CCCC4)cc3)o2)c1 ZINC000823737948 1426574406 /nfs/dbraw/zinc/57/44/06/1426574406.db2.gz LYHAKRMRLOVCGR-UHFFFAOYSA-N -1 1 389.419 3.096 20 10 GGCDMM C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820364418 1426750733 /nfs/dbraw/zinc/75/07/33/1426750733.db2.gz AKAVRUMZWWPXKG-ZDUSSCGKSA-N -1 1 392.463 3.012 20 10 GGCDMM Cc1cc(C(=O)Nc2n[nH]c3ccccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238414 1426803979 /nfs/dbraw/zinc/80/39/79/1426803979.db2.gz MUWCSTXRSHEMNE-UHFFFAOYSA-N -1 1 398.430 3.403 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1c1ccccc1 ZINC000823504552 1426974717 /nfs/dbraw/zinc/97/47/17/1426974717.db2.gz RJJRPOULKISJOF-ZROIWOOFSA-N -1 1 383.433 3.412 20 10 GGCDMM Oc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCCC2 ZINC000826510634 1427038162 /nfs/dbraw/zinc/03/81/62/1427038162.db2.gz BROJUAIQMFSNSZ-OAQYLSRUSA-N -1 1 391.475 3.025 20 10 GGCDMM CC(C)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000824329416 1427180086 /nfs/dbraw/zinc/18/00/86/1427180086.db2.gz PGEVGJYYDXJKFA-UHFFFAOYSA-N -1 1 394.479 3.103 20 10 GGCDMM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1F ZINC000821589284 1427204264 /nfs/dbraw/zinc/20/42/64/1427204264.db2.gz GUYWFAIDELMRDF-UHFFFAOYSA-N -1 1 397.845 3.307 20 10 GGCDMM Cc1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257937 1427211912 /nfs/dbraw/zinc/21/19/12/1427211912.db2.gz UCYZVGWNDXQQOU-KPZWWZAWSA-N -1 1 382.443 3.094 20 10 GGCDMM Cc1cc(C(=O)OCc2cnc(C)s2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737491982 1427250464 /nfs/dbraw/zinc/25/04/64/1427250464.db2.gz OXFUQCGZTVQWNH-UHFFFAOYSA-N -1 1 394.460 3.396 20 10 GGCDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000822220348 1427503776 /nfs/dbraw/zinc/50/37/76/1427503776.db2.gz NHAVRIPQJLPHFK-UHFFFAOYSA-N -1 1 378.436 3.081 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CCCCC1 ZINC000823505132 1427763327 /nfs/dbraw/zinc/76/33/27/1427763327.db2.gz XOPNLAYPTYRCSK-WQLSENKSSA-N -1 1 377.520 3.462 20 10 GGCDMM COc1cc(NCc2cccc(Cl)c2[O-])ccc1S(=O)(=O)N1CCCC1 ZINC000180414007 1429862225 /nfs/dbraw/zinc/86/22/25/1429862225.db2.gz ONXDGLDKLQZLOF-UHFFFAOYSA-N -1 1 396.896 3.451 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccc(F)cc1 ZINC000823504935 1429994209 /nfs/dbraw/zinc/99/42/09/1429994209.db2.gz VTRQQWLEFNRCBO-WUXMJOGZSA-N -1 1 389.462 3.473 20 10 GGCDMM CC[C@@H](CSC)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825119931 1430091250 /nfs/dbraw/zinc/09/12/50/1430091250.db2.gz GQBPWPHVJBKHHK-INIZCTEOSA-N -1 1 398.536 3.488 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc(O)cc2F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826260504 1430149971 /nfs/dbraw/zinc/14/99/71/1430149971.db2.gz RDCASWUAAGPUEP-UHFFFAOYSA-N -1 1 392.394 3.371 20 10 GGCDMM CC(C)C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877399 1431823183 /nfs/dbraw/zinc/82/31/83/1431823183.db2.gz PRJWVAVEXCGDMB-JOYOIKCWSA-N -1 1 378.383 3.277 20 10 GGCDMM CCOc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(Cl)c1[O-] ZINC000192766598 1432887280 /nfs/dbraw/zinc/88/72/80/1432887280.db2.gz VAUTYZLUDJUMPM-UHFFFAOYSA-N -1 1 390.867 3.415 20 10 GGCDMM CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000194654348 1433211618 /nfs/dbraw/zinc/21/16/18/1433211618.db2.gz WGVLRCZTCRQWPC-UHFFFAOYSA-N -1 1 389.260 3.202 20 10 GGCDMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195154533 1433300183 /nfs/dbraw/zinc/30/01/83/1433300183.db2.gz UROAIBDFOHNKDR-NSHDSACASA-N -1 1 394.830 3.478 20 10 GGCDMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195154517 1433300231 /nfs/dbraw/zinc/30/02/31/1433300231.db2.gz UROAIBDFOHNKDR-LLVKDONJSA-N -1 1 394.830 3.478 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000195481313 1433335237 /nfs/dbraw/zinc/33/52/37/1433335237.db2.gz YRDBJADAHLYATD-UHFFFAOYSA-N -1 1 395.507 3.147 20 10 GGCDMM CC(C)CN1C(=O)C(=CNc2ccc(-c3nccs3)cc2)C(=O)[N-]C1=S ZINC000255138501 1433877350 /nfs/dbraw/zinc/87/73/50/1433877350.db2.gz NQPZUJVLXCURSW-NTEUORMPSA-N -1 1 386.502 3.005 20 10 GGCDMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc2N1 ZINC000264899556 1434163403 /nfs/dbraw/zinc/16/34/03/1434163403.db2.gz XNHIODWQPQQHID-UHFFFAOYSA-N -1 1 385.489 3.362 20 10 GGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000276566930 1435217851 /nfs/dbraw/zinc/21/78/51/1435217851.db2.gz JUTCPXLACMOWSB-AWEZNQCLSA-N -1 1 383.322 3.052 20 10 GGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000276566934 1435217863 /nfs/dbraw/zinc/21/78/63/1435217863.db2.gz JUTCPXLACMOWSB-CQSZACIVSA-N -1 1 383.322 3.052 20 10 GGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000276658335 1435223159 /nfs/dbraw/zinc/22/31/59/1435223159.db2.gz XSIRQDKJFPHNEM-KRWDZBQOSA-N -1 1 379.815 3.476 20 10 GGCDMM CC(C)(C)Nc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000277392603 1435301389 /nfs/dbraw/zinc/30/13/89/1435301389.db2.gz RJWGFAWLLJPJIS-UHFFFAOYSA-N -1 1 377.466 3.226 20 10 GGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000278847503 1435430733 /nfs/dbraw/zinc/43/07/33/1435430733.db2.gz TYULBQNBEHXQRK-CQSZACIVSA-N -1 1 385.313 3.469 20 10 GGCDMM Cc1cc(C(=O)OCC(=O)C2CCCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822184623 1441504047 /nfs/dbraw/zinc/50/40/47/1441504047.db2.gz YDITXBZTMIWFNC-UHFFFAOYSA-N -1 1 393.447 3.190 20 10 GGCDMM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821422526 1441669421 /nfs/dbraw/zinc/66/94/21/1441669421.db2.gz YALUVXKAOJMXER-NTEUORMPSA-N -1 1 399.457 3.264 20 10 GGCDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000825353335 1442007120 /nfs/dbraw/zinc/00/71/20/1442007120.db2.gz VTHCMQLZWWWELY-UHFFFAOYSA-N -1 1 389.463 3.130 20 10 GGCDMM COc1ccc(N2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737098476 1442096864 /nfs/dbraw/zinc/09/68/64/1442096864.db2.gz DVUMHYWRHPAMMJ-UHFFFAOYSA-N -1 1 384.871 3.245 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1cccs1 ZINC000823504943 1442184269 /nfs/dbraw/zinc/18/42/69/1442184269.db2.gz VVIJALNIODAZSV-WZUFQYTHSA-N -1 1 391.528 3.391 20 10 GGCDMM CSCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737180310 1442360140 /nfs/dbraw/zinc/36/01/40/1442360140.db2.gz FHXPHYIRDAWLAV-GFCCVEGCSA-N -1 1 384.509 3.146 20 10 GGCDMM CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000736533351 1442441782 /nfs/dbraw/zinc/44/17/82/1442441782.db2.gz ZTGWHVKLQOTVRQ-UHFFFAOYSA-N -1 1 385.403 3.372 20 10 GGCDMM Cc1cc[nH+]c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1-c1nnn[n-]1 ZINC000826309948 1443156073 /nfs/dbraw/zinc/15/60/73/1443156073.db2.gz HKOWJBXLQDIHAB-UHFFFAOYSA-N -1 1 375.411 3.484 20 10 GGCDMM Cc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1-c1nnn[n-]1 ZINC000826309948 1443156076 /nfs/dbraw/zinc/15/60/76/1443156076.db2.gz HKOWJBXLQDIHAB-UHFFFAOYSA-N -1 1 375.411 3.484 20 10 GGCDMM Cc1cc(C(=O)NCCc2ccsc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236659 1443434218 /nfs/dbraw/zinc/43/42/18/1443434218.db2.gz PZTNGSVYMGJQTJ-UHFFFAOYSA-N -1 1 392.488 3.308 20 10 GGCDMM S=C(NNc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400504 1443461803 /nfs/dbraw/zinc/46/18/03/1443461803.db2.gz DWYZVCIKUVEMJR-UHFFFAOYSA-N -1 1 380.264 3.487 20 10 GGCDMM CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197218 1443486974 /nfs/dbraw/zinc/48/69/74/1443486974.db2.gz HRKGVIAYPGCOSY-OAHLLOKOSA-N -1 1 393.495 3.273 20 10 GGCDMM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820571324 1443542873 /nfs/dbraw/zinc/54/28/73/1443542873.db2.gz YEQDTUCPEMSXPM-GMROUXNLSA-N -1 1 383.458 3.422 20 10 GGCDMM CCOc1ccc(N(CC)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821422383 1443743644 /nfs/dbraw/zinc/74/36/44/1443743644.db2.gz WKGZTJQYMANRNF-UHFFFAOYSA-N -1 1 391.435 3.342 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823503740 1443918638 /nfs/dbraw/zinc/91/86/38/1443918638.db2.gz IBUQENTUYOHKEP-KPKJPENVSA-N -1 1 389.531 3.318 20 10 GGCDMM Cc1cc(C(=O)NCCCOCC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236130 1446095380 /nfs/dbraw/zinc/09/53/80/1446095380.db2.gz CAKKWCWQXYVQPY-UHFFFAOYSA-N -1 1 396.495 3.067 20 10 GGCDMM Fc1ccc(C(F)(F)F)cc1NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826373498 1446343339 /nfs/dbraw/zinc/34/33/39/1446343339.db2.gz OKIKBENXBQXCJR-UHFFFAOYSA-N -1 1 397.361 3.338 20 10 GGCDMM COc1ccc(N2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000821831513 1446399223 /nfs/dbraw/zinc/39/92/23/1446399223.db2.gz BUEPROBFTXOINA-UHFFFAOYSA-N -1 1 384.871 3.245 20 10 GGCDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(N2CCCC2)cc1 ZINC000737410320 1446463360 /nfs/dbraw/zinc/46/33/60/1446463360.db2.gz RJFNNCGJZFBRDZ-UHFFFAOYSA-N -1 1 385.475 3.358 20 10 GGCDMM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821422527 1446667613 /nfs/dbraw/zinc/66/76/13/1446667613.db2.gz YALUVXKAOJMXER-ZROIWOOFSA-N -1 1 399.457 3.264 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2cc(C)c(C)cc2O)cc1-c1nnn[n-]1 ZINC000825553471 1446744399 /nfs/dbraw/zinc/74/43/99/1446744399.db2.gz QZSLMOJRRGKNBB-UHFFFAOYSA-N -1 1 382.424 3.370 20 10 GGCDMM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)n1-c1ccccn1 ZINC000826258422 1446993264 /nfs/dbraw/zinc/99/32/64/1446993264.db2.gz KYBWCVSRLABCIF-UHFFFAOYSA-N -1 1 399.458 3.088 20 10 GGCDMM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccco1)Cc1ccccc1O ZINC000823467405 1447035245 /nfs/dbraw/zinc/03/52/45/1447035245.db2.gz VTSTUJQPUNWKGL-UHFFFAOYSA-N -1 1 381.417 3.069 20 10 GGCDMM CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1[O-] ZINC000819834592 1449170580 /nfs/dbraw/zinc/17/05/80/1449170580.db2.gz ORQIZMPDCJMPIY-UHFFFAOYSA-N -1 1 383.427 3.325 20 10 GGCDMM CC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1[O-] ZINC000819834592 1449170594 /nfs/dbraw/zinc/17/05/94/1449170594.db2.gz ORQIZMPDCJMPIY-UHFFFAOYSA-N -1 1 383.427 3.325 20 10 GGCDMM Cc1cc(C(=O)NCCc2cccs2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236902 1449190514 /nfs/dbraw/zinc/19/05/14/1449190514.db2.gz UODSSBMZJFJAIR-UHFFFAOYSA-N -1 1 392.488 3.308 20 10 GGCDMM FC(F)(F)Oc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826368269 1449280176 /nfs/dbraw/zinc/28/01/76/1449280176.db2.gz JNJDMIVECPKMLU-UHFFFAOYSA-N -1 1 395.370 3.079 20 10 GGCDMM Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737269666 1449354918 /nfs/dbraw/zinc/35/49/18/1449354918.db2.gz FQSJXYQHHYMXGO-UHFFFAOYSA-N -1 1 396.499 3.119 20 10 GGCDMM Cc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000776566613 1450018343 /nfs/dbraw/zinc/01/83/43/1450018343.db2.gz XCQFBOJJQCIAPR-GOSISDBHSA-N -1 1 396.520 3.154 20 10 GGCDMM CSC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821962770 1450161213 /nfs/dbraw/zinc/16/12/13/1450161213.db2.gz WNUNDVVFVYFTDG-KRWDZBQOSA-N -1 1 396.520 3.242 20 10 GGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1C ZINC000822309393 1450282957 /nfs/dbraw/zinc/28/29/57/1450282957.db2.gz XBQZHCMCWNOFRD-RIYZIHGNSA-N -1 1 383.458 3.482 20 10 GGCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000323082000 970964954 /nfs/dbraw/zinc/96/49/54/970964954.db2.gz ULNUWVZEKPDPDS-UHFFFAOYSA-N -1 1 380.180 3.337 20 10 GGCDMM C[C@H]1CCCN(c2ccc(CNCc3cc(C(=O)[O-])nn3C)cc2Cl)C1 ZINC001589332332 953951840 /nfs/dbraw/zinc/95/18/40/953951840.db2.gz HWYQQXQFESPYMR-ZDUSSCGKSA-N -1 1 376.888 3.298 20 10 GGCDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000844939005 969248159 /nfs/dbraw/zinc/24/81/59/969248159.db2.gz YAMFHKPWMIQXHR-JTQLQIEISA-N -1 1 381.064 3.212 20 10 GGCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001591756619 975827889 /nfs/dbraw/zinc/82/78/89/975827889.db2.gz FZVBTFUGQMEMCN-BJMVGYQFSA-N -1 1 377.418 3.078 20 10 GGCDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1Cl ZINC000776434701 978748823 /nfs/dbraw/zinc/74/88/23/978748823.db2.gz KLAZCUPMISIVLK-UHFFFAOYSA-N -1 1 392.216 3.207 20 10 GGCDMM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844208696 979359755 /nfs/dbraw/zinc/35/97/55/979359755.db2.gz GBIMTUBRKLCOIL-SIJIIQCFSA-N -1 1 381.432 3.403 20 10 GGCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000864160191 979775751 /nfs/dbraw/zinc/77/57/51/979775751.db2.gz SXBKYYADUMNYLO-GOSISDBHSA-N -1 1 383.492 3.024 20 10 GGCDMM CN(C)c1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c(C(F)(F)F)c1 ZINC000900074810 980246813 /nfs/dbraw/zinc/24/68/13/980246813.db2.gz YSVOQPROFYXPJY-CQSZACIVSA-N -1 1 382.386 3.291 20 10 GGCDMM CN(C)c1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)c(C(F)(F)F)c1 ZINC000900074809 980247131 /nfs/dbraw/zinc/24/71/31/980247131.db2.gz YSVOQPROFYXPJY-AWEZNQCLSA-N -1 1 382.386 3.291 20 10 GGCDMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368958 982386573 /nfs/dbraw/zinc/38/65/73/982386573.db2.gz IOAXXPONZSGEBO-IXDOHACOSA-N -1 1 394.899 3.017 20 10 GGCDMM CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC001594716969 987191773 /nfs/dbraw/zinc/19/17/73/987191773.db2.gz JRIQYVIIPCRWTI-UHFFFAOYSA-N -1 1 383.809 3.137 20 10 GGCDMM CC(C)(C)OC(=O)N1CC(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001589924957 988665236 /nfs/dbraw/zinc/66/52/36/988665236.db2.gz DWNBVYORJLPJMR-UHFFFAOYSA-N -1 1 398.887 3.189 20 10 GGCDMM CC(C)(C)OC(=O)N1CC(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001589924957 988665244 /nfs/dbraw/zinc/66/52/44/988665244.db2.gz DWNBVYORJLPJMR-UHFFFAOYSA-N -1 1 398.887 3.189 20 10 GGCDMM CC(C)(C)OC(=O)NC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001590700984 990414700 /nfs/dbraw/zinc/41/47/00/990414700.db2.gz BEQUIGPGVBORFD-UHFFFAOYSA-N -1 1 386.876 3.236 20 10 GGCDMM CC(C)(C)OC(=O)NC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590700984 990414702 /nfs/dbraw/zinc/41/47/02/990414702.db2.gz BEQUIGPGVBORFD-UHFFFAOYSA-N -1 1 386.876 3.236 20 10 GGCDMM CC(C)(C)OC(=O)NC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590700984 990414705 /nfs/dbraw/zinc/41/47/05/990414705.db2.gz BEQUIGPGVBORFD-UHFFFAOYSA-N -1 1 386.876 3.236 20 10 GGCDMM C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ncc(C(=O)[O-])s1 ZINC001593099232 993729134 /nfs/dbraw/zinc/72/91/34/993729134.db2.gz RSLQJAWNDBVWPN-LURJTMIESA-N -1 1 390.248 3.414 20 10 GGCDMM CN1CCN(c2ccc(CNc3cc(C(F)(F)F)c(C(=O)[O-])cn3)cc2)CC1 ZINC001598624981 994073896 /nfs/dbraw/zinc/07/38/96/994073896.db2.gz WADPCEJMNWGCBU-UHFFFAOYSA-N -1 1 394.397 3.163 20 10 GGCDMM C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211177 994262335 /nfs/dbraw/zinc/26/23/35/994262335.db2.gz VPJCXOWENXHDRF-HZMBPMFUSA-N -1 1 385.338 3.373 20 10 GGCDMM COc1cc(Br)cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001599346763 998020498 /nfs/dbraw/zinc/02/04/98/998020498.db2.gz UEEGAWSCFSABLT-UHFFFAOYSA-N -1 1 384.226 3.395 20 10 GGCDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001599465828 998358714 /nfs/dbraw/zinc/35/87/14/998358714.db2.gz PSBDLYZPFNWFQS-MRXNPFEDSA-N -1 1 375.396 3.123 20 10 GGCDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001594167549 998645919 /nfs/dbraw/zinc/64/59/19/998645919.db2.gz QPPABYNMWSNQEB-XVKPBYJWSA-N -1 1 393.075 3.212 20 10 GGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000093015953 564883536 /nfs/dbraw/zinc/88/35/36/564883536.db2.gz WTYKNMLOEJNAKU-UHFFFAOYSA-N -1 1 382.873 3.118 20 10 GGCDMM C[C@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184877948 565162254 /nfs/dbraw/zinc/16/22/54/565162254.db2.gz OIPBKGLGOJLDII-JTQLQIEISA-N -1 1 383.265 3.463 20 10 GGCDMM Cc1nn(C(C)C)c(C)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000295251174 565255087 /nfs/dbraw/zinc/25/50/87/565255087.db2.gz FYSFBJLGMOZLPZ-UHFFFAOYSA-N -1 1 380.286 3.408 20 10 GGCDMM COC(=O)C12CCC(C(=O)NCc3cccc(Br)c3[O-])(CC1)CC2 ZINC000295268152 565256294 /nfs/dbraw/zinc/25/62/94/565256294.db2.gz HJZLBEGPOZQGFR-UHFFFAOYSA-N -1 1 396.281 3.285 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CC([C@H]2CCOC2)C1 ZINC000373467900 565287643 /nfs/dbraw/zinc/28/76/43/565287643.db2.gz SYZIMRBTGCGARK-VIFPVBQESA-N -1 1 391.103 3.386 20 10 GGCDMM CC(C)(C)c1nnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277300548 565487885 /nfs/dbraw/zinc/48/78/85/565487885.db2.gz CAKKOAGFZUZUGX-UHFFFAOYSA-N -1 1 399.314 3.303 20 10 GGCDMM Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277298128 565488175 /nfs/dbraw/zinc/48/81/75/565488175.db2.gz BWRJKXJWRPDLLH-VIFPVBQESA-N -1 1 382.258 3.362 20 10 GGCDMM CC(C)(C)OC(=O)NCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277402589 565494320 /nfs/dbraw/zinc/49/43/20/565494320.db2.gz BMUVPHLARUGFQE-UHFFFAOYSA-N -1 1 387.274 3.076 20 10 GGCDMM O=C(NCc1nc(C2CC2)cs1)NCc1cccc(Br)c1[O-] ZINC000277399065 565494617 /nfs/dbraw/zinc/49/46/17/565494617.db2.gz JQDGHERMHKQYJU-UHFFFAOYSA-N -1 1 382.283 3.488 20 10 GGCDMM CCc1noc(CC)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277487643 565501378 /nfs/dbraw/zinc/50/13/78/565501378.db2.gz QHIGLVJWLIWFHG-UHFFFAOYSA-N -1 1 382.258 3.267 20 10 GGCDMM Cc1noc(C)c1CSCC(=O)NCc1cccc(Br)c1[O-] ZINC000277545471 565505432 /nfs/dbraw/zinc/50/54/32/565505432.db2.gz NUFUXXKWAMUWMH-UHFFFAOYSA-N -1 1 385.283 3.309 20 10 GGCDMM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277572497 565507587 /nfs/dbraw/zinc/50/75/87/565507587.db2.gz QSVAARVMVRXIPH-UHFFFAOYSA-N -1 1 387.274 3.074 20 10 GGCDMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277582108 565507956 /nfs/dbraw/zinc/50/79/56/565507956.db2.gz RMJDLCIIMJZACV-JSGCOSHPSA-N -1 1 397.313 3.056 20 10 GGCDMM CC(C)(C)OCc1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000277602688 565509034 /nfs/dbraw/zinc/50/90/34/565509034.db2.gz UJWOMPZPPGHFME-UHFFFAOYSA-N -1 1 383.242 3.388 20 10 GGCDMM O=C(C[C@H]1OCCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000277608882 565509508 /nfs/dbraw/zinc/50/95/08/565509508.db2.gz UZWXBUUFCKBGQK-MRXNPFEDSA-N -1 1 376.250 3.475 20 10 GGCDMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277616295 565509627 /nfs/dbraw/zinc/50/96/27/565509627.db2.gz VTUFAWKWMOYPEM-AWEZNQCLSA-N -1 1 397.313 3.198 20 10 GGCDMM COC(=O)CCCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277752929 565517280 /nfs/dbraw/zinc/51/72/80/565517280.db2.gz NQSZYOWUFIINJL-UHFFFAOYSA-N -1 1 387.274 3.077 20 10 GGCDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000277754749 565518542 /nfs/dbraw/zinc/51/85/42/565518542.db2.gz NRUGEEZUYWRFFY-ZDUSSCGKSA-N -1 1 383.242 3.243 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](CCCO)c1ccccc1 ZINC000277791645 565521166 /nfs/dbraw/zinc/52/11/66/565521166.db2.gz SGYQSUXWOXGDFV-INIZCTEOSA-N -1 1 393.281 3.468 20 10 GGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCC12CCOCC2 ZINC000282926209 565802571 /nfs/dbraw/zinc/80/25/71/565802571.db2.gz SXIJRWPQECLFJM-AWEZNQCLSA-N -1 1 383.286 3.303 20 10 GGCDMM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@@H](CO)C1 ZINC000183370906 566245483 /nfs/dbraw/zinc/24/54/83/566245483.db2.gz PJXVKNQMOCZOPN-SECBINFHSA-N -1 1 379.092 3.122 20 10 GGCDMM Cc1cccc(NC[C@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000738735601 599958753 /nfs/dbraw/zinc/95/87/53/599958753.db2.gz DFAKLQMQODGDAA-IQIBNGDESA-N -1 1 382.420 3.334 20 10 GGCDMM Cc1cc(C(=O)CN2CCN(CC(C)C)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317976 600047289 /nfs/dbraw/zinc/04/72/89/600047289.db2.gz FDLVBURQMURMBD-UHFFFAOYSA-N -1 1 397.519 3.249 20 10 GGCDMM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(C)c1 ZINC000738654818 600055263 /nfs/dbraw/zinc/05/52/63/600055263.db2.gz IBAIILXIGRFBDA-UHFFFAOYSA-N -1 1 377.447 3.254 20 10 GGCDMM O=C([O-])C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739786493 600144991 /nfs/dbraw/zinc/14/49/91/600144991.db2.gz ZUJSYXLZWIWTIY-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739786493 600144993 /nfs/dbraw/zinc/14/49/93/600144993.db2.gz ZUJSYXLZWIWTIY-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000739784479 600145103 /nfs/dbraw/zinc/14/51/03/600145103.db2.gz DWPDPJYNQQYWBB-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000739784479 600145105 /nfs/dbraw/zinc/14/51/05/600145105.db2.gz DWPDPJYNQQYWBB-UHFFFAOYSA-N -1 1 380.803 3.100 20 10 GGCDMM CCN(CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C)C[C@@H]1CCOC1 ZINC000829635662 601594497 /nfs/dbraw/zinc/59/44/97/601594497.db2.gz NZKSQSDZBCFKMZ-KRWDZBQOSA-N -1 1 384.476 3.333 20 10 GGCDMM Cc1cc(C(=O)CN2CCC[C@H]2CCCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860049 601595687 /nfs/dbraw/zinc/59/56/87/601595687.db2.gz YCPXTSDZSJLBRW-SFHVURJKSA-N -1 1 384.476 3.212 20 10 GGCDMM COC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1F ZINC000831379424 601634002 /nfs/dbraw/zinc/63/40/02/601634002.db2.gz OTNXJRBQQAJIAO-UHFFFAOYSA-N -1 1 381.787 3.058 20 10 GGCDMM COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1F ZINC000831379424 601634003 /nfs/dbraw/zinc/63/40/03/601634003.db2.gz OTNXJRBQQAJIAO-UHFFFAOYSA-N -1 1 381.787 3.058 20 10 GGCDMM C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C(C)(C)C(=O)[O-] ZINC000833694194 605239595 /nfs/dbraw/zinc/23/95/95/605239595.db2.gz DDTUUQISZVELOP-UHFFFAOYSA-N -1 1 381.064 3.212 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1ccccc1F ZINC000823505155 606394638 /nfs/dbraw/zinc/39/46/38/606394638.db2.gz YDPRCLOEYHUZSP-KPKJPENVSA-N -1 1 389.462 3.473 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000055197703 1406901269 /nfs/dbraw/zinc/90/12/69/1406901269.db2.gz WJJBNIUYJDERIJ-UHFFFAOYSA-N -1 1 390.461 3.337 20 10 GGCDMM O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000013295021 1399078133 /nfs/dbraw/zinc/07/81/33/1399078133.db2.gz GUDWPSGKGRNKSF-UHFFFAOYSA-N -1 1 396.403 3.341 20 10 GGCDMM CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCCC3)cc2)c(=O)[n-]1 ZINC000028332092 1400152684 /nfs/dbraw/zinc/15/26/84/1400152684.db2.gz YDWSYPHGSUWDDV-UHFFFAOYSA-N -1 1 386.521 3.062 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000176277041 1428216170 /nfs/dbraw/zinc/21/61/70/1428216170.db2.gz KDJYWIMFGIPWKU-UHFFFAOYSA-N -1 1 386.473 3.236 20 10 GGCDMM CO[C@H](C)CN(C(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C)C(C)C ZINC000736959291 1428002871 /nfs/dbraw/zinc/00/28/71/1428002871.db2.gz AAQKPDLAQJGJQY-OAHLLOKOSA-N -1 1 396.495 3.160 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238006 1428380161 /nfs/dbraw/zinc/38/01/61/1428380161.db2.gz GSNNBHCMJZETPU-UHFFFAOYSA-N -1 1 377.383 3.061 20 10 GGCDMM Clc1ccc(C2=CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)cn1 ZINC000826351409 1428392382 /nfs/dbraw/zinc/39/23/82/1428392382.db2.gz LRLLRZJGFDMNHY-UHFFFAOYSA-N -1 1 393.882 3.483 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000094062504 1410300702 /nfs/dbraw/zinc/30/07/02/1410300702.db2.gz KZKZWLKSCUQGJO-UHFFFAOYSA-N -1 1 392.330 3.174 20 10 GGCDMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2ccccc2c1[O-] ZINC000098109720 1410423611 /nfs/dbraw/zinc/42/36/11/1410423611.db2.gz YPAVKLAFWPHBPM-UHFFFAOYSA-N -1 1 396.468 3.033 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1[O-] ZINC000177020172 1428556860 /nfs/dbraw/zinc/55/68/60/1428556860.db2.gz GQZCUSMOVKRNGB-UHFFFAOYSA-N -1 1 390.842 3.345 20 10 GGCDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2O)cc1 ZINC000109678235 1411802910 /nfs/dbraw/zinc/80/29/10/1411802910.db2.gz MYYBLWUAZOEJSG-UHFFFAOYSA-N -1 1 398.488 3.418 20 10 GGCDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1OC ZINC000111995314 1412065037 /nfs/dbraw/zinc/06/50/37/1412065037.db2.gz WROKVOSVVAVZSN-UHFFFAOYSA-N -1 1 376.478 3.413 20 10 GGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000177248606 1428650082 /nfs/dbraw/zinc/65/00/82/1428650082.db2.gz JWAUHQAZYQQVHT-UHFFFAOYSA-N -1 1 390.842 3.345 20 10 GGCDMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCCCC4)c3)cc21 ZINC000119942370 1413625914 /nfs/dbraw/zinc/62/59/14/1413625914.db2.gz DQXFJJCGIQUCBF-UHFFFAOYSA-N -1 1 399.516 3.154 20 10 GGCDMM O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c([O-])cccc1F ZINC000120065807 1413673423 /nfs/dbraw/zinc/67/34/23/1413673423.db2.gz SKHSFZAIBXRBSZ-UHFFFAOYSA-N -1 1 398.356 3.317 20 10 GGCDMM Cc1cc(C(=O)OCc2csc(C)n2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737478509 1428748940 /nfs/dbraw/zinc/74/89/40/1428748940.db2.gz VFNURCKFAPFPHR-UHFFFAOYSA-N -1 1 394.460 3.396 20 10 GGCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(N4CCC(C)CC4)c3)cc12 ZINC000125515035 1415218363 /nfs/dbraw/zinc/21/83/63/1415218363.db2.gz VPVPXACBIRXVJD-UHFFFAOYSA-N -1 1 399.520 3.314 20 10 GGCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)c2)CC1 ZINC000125515277 1415218439 /nfs/dbraw/zinc/21/84/39/1415218439.db2.gz FJEVHJJCIUQZQF-UHFFFAOYSA-N -1 1 399.516 3.010 20 10 GGCDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1F ZINC000132271616 1416727219 /nfs/dbraw/zinc/72/72/19/1416727219.db2.gz VJSDQSPDKNVAGH-UHFFFAOYSA-N -1 1 377.441 3.185 20 10 GGCDMM Oc1ccccc1CN(CCOc1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000738401574 1429128153 /nfs/dbraw/zinc/12/81/53/1429128153.db2.gz UUWQNFIOMRAMTQ-UHFFFAOYSA-N -1 1 391.431 3.247 20 10 GGCDMM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000150865623 1417823829 /nfs/dbraw/zinc/82/38/29/1417823829.db2.gz BRVZEDVISDGREE-UHFFFAOYSA-N -1 1 386.470 3.168 20 10 GGCDMM CCCCc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000179713009 1429517969 /nfs/dbraw/zinc/51/79/69/1429517969.db2.gz XOTDQSMVUFZYRO-UHFFFAOYSA-N -1 1 376.478 3.383 20 10 GGCDMM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000826511732 1429604878 /nfs/dbraw/zinc/60/48/78/1429604878.db2.gz BUEREHBBSFBBQJ-UHFFFAOYSA-N -1 1 380.264 3.487 20 10 GGCDMM Cc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822085002 1423398224 /nfs/dbraw/zinc/39/82/24/1423398224.db2.gz VKJRUZRPLBHEFX-UHFFFAOYSA-N -1 1 391.479 3.438 20 10 GGCDMM Cc1cc(C(=O)Nc2csc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826327163 1424614148 /nfs/dbraw/zinc/61/41/48/1424614148.db2.gz VMEZIVFEXRDIIS-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM O=C(Nc1cccc(N2CCCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363417 1424839415 /nfs/dbraw/zinc/83/94/15/1424839415.db2.gz CMPSCGUPYKPSND-UHFFFAOYSA-N -1 1 384.390 3.388 20 10 GGCDMM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000820703459 1424970824 /nfs/dbraw/zinc/97/08/24/1424970824.db2.gz FTCWQQLYSGTUHI-LXLDMJRISA-N -1 1 375.479 3.240 20 10 GGCDMM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821431022 1425077259 /nfs/dbraw/zinc/07/72/59/1425077259.db2.gz KCNFVVCQVRUTET-NTEUORMPSA-N -1 1 399.457 3.264 20 10 GGCDMM Cc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236144 1425380955 /nfs/dbraw/zinc/38/09/55/1425380955.db2.gz DDZDKRWXMRUHAI-UHFFFAOYSA-N -1 1 386.459 3.247 20 10 GGCDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccco1)Cc1ccccc1O ZINC000826497583 1425971446 /nfs/dbraw/zinc/97/14/46/1425971446.db2.gz MKPNBUYGHFNFCP-UHFFFAOYSA-N -1 1 392.375 3.280 20 10 GGCDMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000747472616 1425995895 /nfs/dbraw/zinc/99/58/95/1425995895.db2.gz YZXVFWRTLVEEDR-FQEVSTJZSA-N -1 1 386.459 3.435 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2O)cc1-c1nnn[n-]1 ZINC000825553803 1426102878 /nfs/dbraw/zinc/10/28/78/1426102878.db2.gz XHXBRUTUZYXCAT-UHFFFAOYSA-N -1 1 388.815 3.406 20 10 GGCDMM CCc1nnc(NCc2ccc(N3CCCCC3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821542818 1426171732 /nfs/dbraw/zinc/17/17/32/1426171732.db2.gz ZFBWTDIHBCKBRI-UHFFFAOYSA-N -1 1 392.511 3.384 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000738288591 1426219548 /nfs/dbraw/zinc/21/95/48/1426219548.db2.gz CCVDBKHDJPICPF-NTEUORMPSA-N -1 1 383.502 3.257 20 10 GGCDMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)n1-c1cccc(C)c1 ZINC000822284445 1426766155 /nfs/dbraw/zinc/76/61/55/1426766155.db2.gz RVFSCVMSTPLIJY-UHFFFAOYSA-N -1 1 379.449 3.291 20 10 GGCDMM Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233904 1426931907 /nfs/dbraw/zinc/93/19/07/1426931907.db2.gz ILVWNBLJWDWWDS-ZIAGYGMSSA-N -1 1 378.480 3.392 20 10 GGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820120678 1428061932 /nfs/dbraw/zinc/06/19/32/1428061932.db2.gz IXBAHZUXVFAYDU-UHFFFAOYSA-N -1 1 393.495 3.053 20 10 GGCDMM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530177 1428081983 /nfs/dbraw/zinc/08/19/83/1428081983.db2.gz JPUTYRNDZFUGGJ-HUUCEWRRSA-N -1 1 396.470 3.254 20 10 GGCDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccco1)Cc1ccccc1O ZINC000823483195 1430000476 /nfs/dbraw/zinc/00/04/76/1430000476.db2.gz FKKIDCXMQSRAGJ-UHFFFAOYSA-N -1 1 381.417 3.069 20 10 GGCDMM Cc1ccc(CCNC(=O)c2cc(C)n(-c3ccc(-c4nnn[n-]4)cc3)c2C)o1 ZINC000737337713 1430031119 /nfs/dbraw/zinc/03/11/19/1430031119.db2.gz PNJKGNCTMCZFBK-UHFFFAOYSA-N -1 1 390.447 3.148 20 10 GGCDMM FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826368563 1430117130 /nfs/dbraw/zinc/11/71/30/1430117130.db2.gz UUTWPNLLBSHYRD-UHFFFAOYSA-N -1 1 376.342 3.113 20 10 GGCDMM Cc1cc(C(=O)N2CCC3(CCC3)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822168446 1430120008 /nfs/dbraw/zinc/12/00/08/1430120008.db2.gz MTTYCXWOPMMFMC-UHFFFAOYSA-N -1 1 376.464 3.290 20 10 GGCDMM O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([O-])cc1F ZINC000181151478 1430228267 /nfs/dbraw/zinc/22/82/67/1430228267.db2.gz UTTKOGCDIVLLHY-UHFFFAOYSA-N -1 1 398.356 3.317 20 10 GGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000189424138 1432106354 /nfs/dbraw/zinc/10/63/54/1432106354.db2.gz JZPAZXMMBBVNBY-UHFFFAOYSA-N -1 1 382.441 3.499 20 10 GGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000189427398 1432107368 /nfs/dbraw/zinc/10/73/68/1432107368.db2.gz WZEWRQHWYPRFHU-UHFFFAOYSA-N -1 1 376.478 3.237 20 10 GGCDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000268367413 1434516045 /nfs/dbraw/zinc/51/60/45/1434516045.db2.gz SGTMPNQBWCZJBX-UHFFFAOYSA-N -1 1 397.518 3.418 20 10 GGCDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1[O-] ZINC000268846624 1434564004 /nfs/dbraw/zinc/56/40/04/1434564004.db2.gz JCPWQEQSMOIHPF-UHFFFAOYSA-N -1 1 378.450 3.289 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000271207858 1434808203 /nfs/dbraw/zinc/80/82/03/1434808203.db2.gz KWPXKNPJNRAGIX-UHFFFAOYSA-N -1 1 389.477 3.006 20 10 GGCDMM C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273377059 1434984440 /nfs/dbraw/zinc/98/44/40/1434984440.db2.gz HMJOJAFMHCNHTG-VIFPVBQESA-N -1 1 381.314 3.213 20 10 GGCDMM CSCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273392997 1434985755 /nfs/dbraw/zinc/98/57/55/1434985755.db2.gz LCKMSJPIAPIJOB-DOMZBBRYSA-N -1 1 387.465 3.488 20 10 GGCDMM COC(C)(C)c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000273504053 1434992990 /nfs/dbraw/zinc/99/29/90/1434992990.db2.gz ZHAVWYFRUPACNR-UHFFFAOYSA-N -1 1 395.462 3.186 20 10 GGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCCc4ccccc43)no2)c1 ZINC000273730150 1435008771 /nfs/dbraw/zinc/00/87/71/1435008771.db2.gz MSWQCVKOTUKQII-HNNXBMFYSA-N -1 1 385.445 3.282 20 10 GGCDMM CSc1nnc(CCCNC(=O)c2c(F)ccc(O)c2[O-])n1C1CCCC1 ZINC000276487961 1435214000 /nfs/dbraw/zinc/21/40/00/1435214000.db2.gz FXTYLUFQBYJBJE-UHFFFAOYSA-N -1 1 394.472 3.028 20 10 GGCDMM CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278207379 1435369614 /nfs/dbraw/zinc/36/96/14/1435369614.db2.gz JSBYOZORIZWYFW-UHFFFAOYSA-N -1 1 395.362 3.048 20 10 GGCDMM Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177440 1441466458 /nfs/dbraw/zinc/46/64/58/1441466458.db2.gz ZNBHGIXXUDZRQG-UHFFFAOYSA-N -1 1 377.383 3.061 20 10 GGCDMM OCC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2)CC1 ZINC000738394040 1441581922 /nfs/dbraw/zinc/58/19/22/1441581922.db2.gz PNETXPIUXNZTNI-UHFFFAOYSA-N -1 1 398.898 3.341 20 10 GGCDMM O=C(NCCCSc1nccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823197330 1441782339 /nfs/dbraw/zinc/78/23/39/1441782339.db2.gz QMNPZDQEANFKFP-UHFFFAOYSA-N -1 1 395.901 3.281 20 10 GGCDMM Cc1ncc(C=CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)s1 ZINC000737490462 1441801717 /nfs/dbraw/zinc/80/17/17/1441801717.db2.gz VRNKPFZIPNBTRN-HJWRWDBZSA-N -1 1 392.444 3.471 20 10 GGCDMM O=C(NCc1ccccc1O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443319 1441916891 /nfs/dbraw/zinc/91/68/91/1441916891.db2.gz KCIUGBYDQIWWNY-UHFFFAOYSA-N -1 1 387.399 3.295 20 10 GGCDMM COC(C)(C)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736958574 1442177328 /nfs/dbraw/zinc/17/73/28/1442177328.db2.gz VHPRYKVQZVTOJQ-ZDUSSCGKSA-N -1 1 396.495 3.208 20 10 GGCDMM S=C(NNc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400945 1442407116 /nfs/dbraw/zinc/40/71/16/1442407116.db2.gz LFTSURQYXSFRCW-UHFFFAOYSA-N -1 1 380.264 3.487 20 10 GGCDMM Oc1ccccc1CN(CCOc1ccc(-c2nnn[n-]2)cc1)Cc1ccco1 ZINC000823733382 1442484986 /nfs/dbraw/zinc/48/49/86/1442484986.db2.gz WBXVPSJFCCSXNC-UHFFFAOYSA-N -1 1 391.431 3.247 20 10 GGCDMM CN(C)c1ccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000825879209 1443102780 /nfs/dbraw/zinc/10/27/80/1443102780.db2.gz JLNBADMQLZOTDT-INIZCTEOSA-N -1 1 376.386 3.326 20 10 GGCDMM O=[N+]([O-])c1ccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738369590 1443235201 /nfs/dbraw/zinc/23/52/01/1443235201.db2.gz JQPLYNOFFVCQTP-CYBMUJFWSA-N -1 1 399.386 3.249 20 10 GGCDMM CCOC(=O)Nc1ccc(NCc2ccc(OCC)cc2O)cc1-c1nnn[n-]1 ZINC000825553907 1443378176 /nfs/dbraw/zinc/37/81/76/1443378176.db2.gz YYWDVCFMGPPOAN-UHFFFAOYSA-N -1 1 398.423 3.152 20 10 GGCDMM Clc1cc(-c2nnn[n-]2)cnc1N1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000737564650 1443691683 /nfs/dbraw/zinc/69/16/83/1443691683.db2.gz RWKJFAODJRRVLA-UHFFFAOYSA-N -1 1 378.827 3.085 20 10 GGCDMM Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822166923 1443964321 /nfs/dbraw/zinc/96/43/21/1443964321.db2.gz AAKBMVBLKICRCR-OKILXGFUSA-N -1 1 396.520 3.240 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1cccs1 ZINC000823504467 1446115347 /nfs/dbraw/zinc/11/53/47/1446115347.db2.gz QMSHHBRJZKAHFD-WDZFZDKYSA-N -1 1 391.528 3.391 20 10 GGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736558997 1446197569 /nfs/dbraw/zinc/19/75/69/1446197569.db2.gz RWNAHUNTELQTEA-UHFFFAOYSA-N -1 1 396.520 3.074 20 10 GGCDMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000747471445 1446275900 /nfs/dbraw/zinc/27/59/00/1446275900.db2.gz SIATTYZXTNVXMI-LJQANCHMSA-N -1 1 390.422 3.266 20 10 GGCDMM CN(C)c1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000825878701 1446811357 /nfs/dbraw/zinc/81/13/57/1446811357.db2.gz BWGDECRKJUWOKP-UHFFFAOYSA-N -1 1 396.470 3.115 20 10 GGCDMM CN(C)c1ccc(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000825878701 1446811361 /nfs/dbraw/zinc/81/13/61/1446811361.db2.gz BWGDECRKJUWOKP-UHFFFAOYSA-N -1 1 396.470 3.115 20 10 GGCDMM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000822210485 1449188308 /nfs/dbraw/zinc/18/83/08/1449188308.db2.gz DTZYKLRNIYDOPL-UHFFFAOYSA-N -1 1 387.465 3.113 20 10 GGCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1-c1nnn[n-]1 ZINC000821220973 1449311497 /nfs/dbraw/zinc/31/14/97/1449311497.db2.gz HEMRYFLGIUZIQH-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1-c1nnn[n-]1 ZINC000821220973 1449311503 /nfs/dbraw/zinc/31/15/03/1449311503.db2.gz HEMRYFLGIUZIQH-UHFFFAOYSA-N -1 1 388.269 3.357 20 10 GGCDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1cccs1 ZINC000823504942 1449315499 /nfs/dbraw/zinc/31/54/99/1449315499.db2.gz VVIJALNIODAZSV-VZUCSPMQSA-N -1 1 391.528 3.391 20 10 GGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(F)cc1F ZINC000823503573 1449525354 /nfs/dbraw/zinc/52/53/54/1449525354.db2.gz HHLZZHMFDVUYGE-WUXMJOGZSA-N -1 1 391.384 3.144 20 10 GGCDMM COCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000821695178 1449624263 /nfs/dbraw/zinc/62/42/63/1449624263.db2.gz MROACWMQJKYHPF-RIYZIHGNSA-N -1 1 399.457 3.012 20 10 GGCDMM Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236418 1449750398 /nfs/dbraw/zinc/75/03/98/1449750398.db2.gz KEDYNAJVHHJDDR-UHFFFAOYSA-N -1 1 388.431 3.136 20 10 GGCDMM Cc1c(NC(=O)NCc2ccc(N3CCCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822105006 1449961426 /nfs/dbraw/zinc/96/14/26/1449961426.db2.gz SUJASAQRKLJQAS-UHFFFAOYSA-N -1 1 377.452 3.097 20 10 GGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821611167 1450017335 /nfs/dbraw/zinc/01/73/35/1450017335.db2.gz UEKNHWBWGXNIMW-UHFFFAOYSA-N -1 1 382.493 3.191 20 10 GGCDMM CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000819835365 1450255138 /nfs/dbraw/zinc/25/51/38/1450255138.db2.gz WPEHLYVFSPLSLT-RIYZIHGNSA-N -1 1 397.441 3.068 20 10 GGCDMM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000822168786 1450348982 /nfs/dbraw/zinc/34/89/82/1450348982.db2.gz SFZCGRYRYJLONE-CQSZACIVSA-N -1 1 387.447 3.160 20 10 GGCDMM CCN(Cc1cc(Br)ccc1O)c1nccc(C)c1-c1nnn[n-]1 ZINC000825428616 1450351923 /nfs/dbraw/zinc/35/19/23/1450351923.db2.gz RIXUVJKKSKGOPO-UHFFFAOYSA-N -1 1 389.257 3.065 20 10 GGCDMM O=C(C=Cc1cncc(F)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737805349 1450449379 /nfs/dbraw/zinc/44/93/79/1450449379.db2.gz HMQYFYMRULTLEN-BQYQJAHWSA-N -1 1 390.378 3.240 20 10 GGCDMM COc1ccc(N2CCC(Nc3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209279 1450464389 /nfs/dbraw/zinc/46/43/89/1450464389.db2.gz UXFOJJJRYATDQJ-UHFFFAOYSA-N -1 1 399.886 3.313 20 10 GGCDMM