smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C=C\CNCc1cc(C(=O)[O-])co1 ZINC000384732565 710995650 /nfs/dbraw/zinc/99/56/50/710995650.db2.gz KAPZTFYGOZKCIR-ARJAWSKDSA-N -1 1 209.245 2.034 20 0 BEADMM Cn1cn[n-]c1=NCC1(C)CCCCCC1 ZINC000381494978 711820761 /nfs/dbraw/zinc/82/07/61/711820761.db2.gz AWXCBXMXGJKUSZ-UHFFFAOYSA-N -1 1 222.336 2.009 20 0 BEADMM CCC(F)(F)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000704748201 712114803 /nfs/dbraw/zinc/11/48/03/712114803.db2.gz QORRNIVLWMJOFC-VIFPVBQESA-N -1 1 247.285 2.218 20 0 BEADMM O=C(NC[C@H]1C=CCC1)c1ccc([O-])cc1F ZINC000711728792 712319855 /nfs/dbraw/zinc/31/98/55/712319855.db2.gz LAKVBFVPIMHNLK-VIFPVBQESA-N -1 1 235.258 2.227 20 0 BEADMM O=C(NC[C@@H]1C=CCC1)c1c([O-])cccc1F ZINC000711730139 712320255 /nfs/dbraw/zinc/32/02/55/712320255.db2.gz NWCJQDBJOQPQOK-SECBINFHSA-N -1 1 235.258 2.227 20 0 BEADMM Cc1ccc(CN2CCCCC[C@H]2C(=O)[O-])o1 ZINC000080992163 712728727 /nfs/dbraw/zinc/72/87/27/712728727.db2.gz XNEQOXJKMXQRLH-LBPRGKRZSA-N -1 1 237.299 2.417 20 0 BEADMM C[C@H](C(=O)[N-]OCc1ccccc1)[C@H]1CCCO1 ZINC000720619936 712859710 /nfs/dbraw/zinc/85/97/10/712859710.db2.gz LEGDTAHUAUOWDK-WCQYABFASA-N -1 1 249.310 2.050 20 0 BEADMM O=C(N[C@@H]1CC12CCC2)c1ccc([O-])cc1F ZINC000721148446 712892710 /nfs/dbraw/zinc/89/27/10/712892710.db2.gz MUIBUFAMWGAVSC-LLVKDONJSA-N -1 1 235.258 2.204 20 0 BEADMM [O-]c1c(F)cc(CN2CC(F)(F)C2)cc1F ZINC001140987737 960782579 /nfs/dbraw/zinc/78/25/79/960782579.db2.gz BMKRYJYDHQJMKM-UHFFFAOYSA-N -1 1 235.180 2.121 20 0 BEADMM C/C=C\C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001154105457 962712455 /nfs/dbraw/zinc/71/24/55/962712455.db2.gz CDBHRIKOOHXCEO-IHWYPQMZSA-N -1 1 225.675 2.238 20 0 BEADMM C/C(=C\CN[C@@H](C)c1ncc(C)s1)C(=O)[O-] ZINC000309108298 963323952 /nfs/dbraw/zinc/32/39/52/963323952.db2.gz FDHRTZXJROBTSZ-IYNCYZAOSA-N -1 1 240.328 2.133 20 0 BEADMM Cc1nnc([N-]c2ccc(O)c(F)c2F)o1 ZINC001211997888 964145147 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ZINC001337189213 978204149 /nfs/dbraw/zinc/20/41/49/978204149.db2.gz CTYRBNREGHFYJB-NSHDSACASA-N -1 1 231.255 2.061 20 0 BEADMM [O-]c1cc(F)c(CN2CCCC2)c(F)c1 ZINC000148989325 978313036 /nfs/dbraw/zinc/31/30/36/978313036.db2.gz DALJLSMJTLVAMW-UHFFFAOYSA-N -1 1 213.227 2.266 20 0 BEADMM [O-]c1c(F)ccc(CN2CCCCO2)c1F ZINC001232931391 978339561 /nfs/dbraw/zinc/33/95/61/978339561.db2.gz NISARUMWPPNFGR-UHFFFAOYSA-N -1 1 229.226 2.198 20 0 BEADMM [O-]c1cc(CN2C[C@@H](F)[C@@H](F)C2)cc(F)c1F ZINC001232970961 978375000 /nfs/dbraw/zinc/37/50/00/978375000.db2.gz ONLZEPWKBLCTQS-DTORHVGOSA-N -1 1 249.207 2.162 20 0 BEADMM CN(Cc1ccc([S-])cc1)C1(C)COC1 ZINC001233261812 978520985 /nfs/dbraw/zinc/52/09/85/978520985.db2.gz FOLNRZZAPSVWCU-UHFFFAOYSA-N -1 1 223.341 2.196 20 0 BEADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(F)c([O-])c1 ZINC001178729839 978624890 /nfs/dbraw/zinc/62/48/90/978624890.db2.gz KCEQSENRDFBTPJ-NOZJJQNGSA-N -1 1 235.258 2.204 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001339401810 978846398 /nfs/dbraw/zinc/84/63/98/978846398.db2.gz LBHFTVBDYALWPV-LLVKDONJSA-N -1 1 248.326 2.356 20 0 BEADMM O=C([O-])/C=C/c1ccc(CN2CC3(CCC3)C2)o1 ZINC001601880390 978861325 /nfs/dbraw/zinc/86/13/25/978861325.db2.gz XPEPXKLNYKVCTF-SNAWJCMRSA-N -1 1 247.294 2.363 20 0 BEADMM O=C([O-])c1cc(CNC/C=C\Cl)cs1 ZINC001602257936 979098814 /nfs/dbraw/zinc/09/88/14/979098814.db2.gz KKSZFOFTFSXHJP-UPHRSURJSA-N -1 1 231.704 2.288 20 0 BEADMM O=C([O-])c1ccc(CNCc2ccccc2F)[nH]1 ZINC001602348901 979108352 /nfs/dbraw/zinc/10/83/52/979108352.db2.gz TYDADVQJKCSJQZ-UHFFFAOYSA-N -1 1 248.257 2.142 20 0 BEADMM CC(C)CONC(=O)c1c([O-])cccc1Cl ZINC001340966406 979180869 /nfs/dbraw/zinc/18/08/69/979180869.db2.gz GFFRMPLLIUZCJP-UHFFFAOYSA-N -1 1 243.690 2.363 20 0 BEADMM C/C(=C\C(=O)[O-])CN1CCc2ccc(F)cc2C1 ZINC001602957669 979338045 /nfs/dbraw/zinc/33/80/45/979338045.db2.gz JOSNADHTCRGVFS-UXBLZVDNSA-N -1 1 249.285 2.215 20 0 BEADMM C[C@@H](C(=O)[O-])N(Cc1ccco1)C1CCC1 ZINC001603199275 979401131 /nfs/dbraw/zinc/40/11/31/979401131.db2.gz XMRJMHQIMCYOBJ-VIFPVBQESA-N -1 1 223.272 2.107 20 0 BEADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc2cnccc2o1 ZINC001603498440 979464932 /nfs/dbraw/zinc/46/49/32/979464932.db2.gz FSTROOACYXIKFR-NSHDSACASA-N -1 1 248.282 2.123 20 0 BEADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001603720476 979507411 /nfs/dbraw/zinc/50/74/11/979507411.db2.gz LAOPAOVLWCOUNI-SSDOTTSWSA-N -1 1 247.327 2.152 20 0 BEADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001603720476 979507422 /nfs/dbraw/zinc/50/74/22/979507422.db2.gz LAOPAOVLWCOUNI-SSDOTTSWSA-N -1 1 247.327 2.152 20 0 BEADMM Cc1ccc(F)c(-c2nccnc2N(C)C)c1[O-] ZINC001236390335 979574866 /nfs/dbraw/zinc/57/48/66/979574866.db2.gz FPTBPKKCKBNOEA-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM CCC[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001604138403 979582817 /nfs/dbraw/zinc/58/28/17/979582817.db2.gz XCQSKCBXPBXZQT-QMMMGPOBSA-N -1 1 246.318 2.171 20 0 BEADMM CCC[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001604138403 979582819 /nfs/dbraw/zinc/58/28/19/979582819.db2.gz XCQSKCBXPBXZQT-QMMMGPOBSA-N -1 1 246.318 2.171 20 0 BEADMM C[C@@H]1CCN(Cc2ncc(C(=O)[O-])s2)[C@H]1C ZINC001604757469 979714783 /nfs/dbraw/zinc/71/47/83/979714783.db2.gz QRMQHKMWIWQYRT-SFYZADRCSA-N -1 1 240.328 2.072 20 0 BEADMM CCC(F)(F)CN[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605064961 979807438 /nfs/dbraw/zinc/80/74/38/979807438.db2.gz IKSCWEBDVYSPAL-DTWKUNHWSA-N -1 1 235.274 2.265 20 0 BEADMM CC1(C)CC=C(C(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001183563464 979844928 /nfs/dbraw/zinc/84/49/28/979844928.db2.gz VMKSCPGPEWLHBU-UHFFFAOYSA-N -1 1 235.287 2.190 20 0 BEADMM O=C(NC[C@H]1C[C@H](F)C1)c1ccc([O-])c(F)c1 ZINC001186237124 980350856 /nfs/dbraw/zinc/35/08/56/980350856.db2.gz PTQSXIHJZMZIGA-XWEPSHTISA-N -1 1 241.237 2.009 20 0 BEADMM O=C(NCC1CC1)Nc1cc(F)cc(F)c1[O-] ZINC001186621621 980412787 /nfs/dbraw/zinc/41/27/87/980412787.db2.gz PVTXPTDONROKHO-UHFFFAOYSA-N -1 1 242.225 2.202 20 0 BEADMM Cc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190845790 980936264 /nfs/dbraw/zinc/93/62/64/980936264.db2.gz JMVIGFSVUUXKGR-UHFFFAOYSA-N -1 1 248.307 2.191 20 0 BEADMM CCC1(N[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595390343 980946199 /nfs/dbraw/zinc/94/61/99/980946199.db2.gz CLYIIXLALIMKSY-SSDOTTSWSA-N -1 1 240.328 2.435 20 0 BEADMM Cn1nccc1Cc1cc([O-])c(F)c(F)c1F ZINC001250438239 981087084 /nfs/dbraw/zinc/08/70/84/981087084.db2.gz LBYMXJHVCNPZOF-UHFFFAOYSA-N -1 1 242.200 2.134 20 0 BEADMM Cc1noc(C)c1[N-]C(=O)c1ncoc1C1CC1 ZINC001347648242 981136159 /nfs/dbraw/zinc/13/61/59/981136159.db2.gz RNGOIACLAWEERX-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM CON(C(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC001347698378 981147038 /nfs/dbraw/zinc/14/70/38/981147038.db2.gz CTADETZSTWVQQP-UHFFFAOYSA-N -1 1 243.690 2.458 20 0 BEADMM CC(C)N(C)C(=O)c1cc([O-])cc(F)c1F ZINC001192651317 981174534 /nfs/dbraw/zinc/17/45/34/981174534.db2.gz GEKVHBQVGRSKPG-UHFFFAOYSA-N -1 1 229.226 2.151 20 0 BEADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](F)C1 ZINC001347903277 981213148 /nfs/dbraw/zinc/21/31/48/981213148.db2.gz FSBDBUIQWTUUJR-ZETCQYMHSA-N -1 1 243.665 2.230 20 0 BEADMM Cc1ncnc(-c2cc(F)ccc2[O-])c1F ZINC001240693309 981598104 /nfs/dbraw/zinc/59/81/04/981598104.db2.gz MJRVOBPPWLFQNA-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM COC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240694168 981600491 /nfs/dbraw/zinc/60/04/91/981600491.db2.gz PLOVKXQMPOBFOV-UHFFFAOYSA-N -1 1 247.225 2.380 20 0 BEADMM [O-]c1ccc(F)cc1-c1ncnc2c1CCC2 ZINC001240694474 981600610 /nfs/dbraw/zinc/60/06/10/981600610.db2.gz UHXCLNZMTCTJBA-UHFFFAOYSA-N -1 1 230.242 2.477 20 0 BEADMM Cc1ccc(-c2cc(F)ccc2[O-])nc1N ZINC001240694248 981600863 /nfs/dbraw/zinc/60/08/63/981600863.db2.gz SNEVAFGXXGXVQL-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM [O-]c1ccc(F)cc1-c1ccc2nc[nH]c2n1 ZINC001240693341 981601905 /nfs/dbraw/zinc/60/19/05/981601905.db2.gz NXTPVIXSSVQHFM-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM Cc1cc(C(N)=O)cc(-c2cc(F)ccc2[O-])n1 ZINC001240696610 981606726 /nfs/dbraw/zinc/60/67/26/981606726.db2.gz SZTVNEONNBQEFD-UHFFFAOYSA-N -1 1 246.241 2.001 20 0 BEADMM Cc1nc(-c2ccc([O-])c(F)c2)nc2[nH]cnc21 ZINC001240782569 981820534 /nfs/dbraw/zinc/82/05/34/981820534.db2.gz APFAFWLNKZOWAM-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM Cn1ccc2cnc(-c3ccc([O-])c(F)c3)nc21 ZINC001240783698 981822646 /nfs/dbraw/zinc/82/26/46/981822646.db2.gz WEDBDKDBGUUPCA-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM COc1ncc(F)c(-c2ccc([O-])c(F)c2)n1 ZINC001240782953 981823692 /nfs/dbraw/zinc/82/36/92/981823692.db2.gz KHUWGGDNJUFBSA-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM CCOc1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240783425 981823766 /nfs/dbraw/zinc/82/37/66/981823766.db2.gz QBWJMXBUKDCVDE-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)c([O-])c1 ZINC001583617684 981829647 /nfs/dbraw/zinc/82/96/47/981829647.db2.gz LSYCWCKUGIYLOL-INTQDDNPSA-N -1 1 249.285 2.450 20 0 BEADMM Cc1c(Cl)cccc1CNC[C@H](F)C(=O)[O-] ZINC001350653997 982043127 /nfs/dbraw/zinc/04/31/27/982043127.db2.gz UHMJTPXMQQRWKQ-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM [O-]c1ccccc1-c1ncc2[nH]ccc2n1 ZINC001241001926 982085363 /nfs/dbraw/zinc/08/53/63/982085363.db2.gz MLCONHMKCKZVKV-UHFFFAOYSA-N -1 1 211.224 2.331 20 0 BEADMM COc1cnc(-c2ccc(C)cc2[O-])nc1OC ZINC001241030576 982127725 /nfs/dbraw/zinc/12/77/25/982127725.db2.gz MWARVUZATCQODE-UHFFFAOYSA-N -1 1 246.266 2.175 20 0 BEADMM Cc1ccc([O-])c(C(=O)N2CCC3(CCC3)C2)n1 ZINC001195324853 982173938 /nfs/dbraw/zinc/17/39/38/982173938.db2.gz UUQQTSIRUFIXQR-UHFFFAOYSA-N -1 1 246.310 2.112 20 0 BEADMM COc1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241116948 982234124 /nfs/dbraw/zinc/23/41/24/982234124.db2.gz IZFNALPWBUJUII-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM [O-]c1cc(F)c(-c2cnc(F)cn2)c(F)c1 ZINC001241122443 982252073 /nfs/dbraw/zinc/25/20/73/982252073.db2.gz DFGDRICUADHOHH-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM COc1ncncc1-c1c(F)cc([O-])cc1F ZINC001241123241 982253119 /nfs/dbraw/zinc/25/31/19/982253119.db2.gz XEYABVCNUIOKIG-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001594883614 982254284 /nfs/dbraw/zinc/25/42/84/982254284.db2.gz UFJYMQPSRNPVQF-CIUDSAMLSA-N -1 1 240.303 2.458 20 0 BEADMM CCOc1ccnc(-c2cc([O-])cc(F)c2)n1 ZINC001241256513 982395287 /nfs/dbraw/zinc/39/52/87/982395287.db2.gz XATNCWLXBBCAGY-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM Cn1ccc2cnc(-c3cc([O-])cc(F)c3)nc21 ZINC001241256410 982396115 /nfs/dbraw/zinc/39/61/15/982396115.db2.gz UUTAMBZARRPAEP-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1ccc(F)c(-c2ncnc3[nH]cnc32)c1F ZINC001241289669 982428343 /nfs/dbraw/zinc/42/83/43/982428343.db2.gz DBDJGCNQYVDVHF-UHFFFAOYSA-N -1 1 248.192 2.004 20 0 BEADMM CCC[N@@H+](CC)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595865216 982824495 /nfs/dbraw/zinc/82/44/95/982824495.db2.gz XBIJGCCXIIEEQS-QMMMGPOBSA-N -1 1 226.276 2.166 20 0 BEADMM CCCN(CC)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595865216 982824515 /nfs/dbraw/zinc/82/45/15/982824515.db2.gz XBIJGCCXIIEEQS-QMMMGPOBSA-N -1 1 226.276 2.166 20 0 BEADMM CCC(CC)Nc1ccc(C)nc1-c1nnn[n-]1 ZINC001590435845 982943896 /nfs/dbraw/zinc/94/38/96/982943896.db2.gz NBTCAVDCHPTWAX-UHFFFAOYSA-N -1 1 246.318 2.171 20 0 BEADMM CCC(CC)Nc1ccc(C)nc1-c1nn[n-]n1 ZINC001590435845 982943900 /nfs/dbraw/zinc/94/39/00/982943900.db2.gz NBTCAVDCHPTWAX-UHFFFAOYSA-N -1 1 246.318 2.171 20 0 BEADMM CC/C=C/CCn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001590531018 982956733 /nfs/dbraw/zinc/95/67/33/982956733.db2.gz BJJATRSARKUWBQ-AATRIKPKSA-N -1 1 246.318 2.036 20 0 BEADMM CC/C=C/CCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001590531018 982956740 /nfs/dbraw/zinc/95/67/40/982956740.db2.gz BJJATRSARKUWBQ-AATRIKPKSA-N -1 1 246.318 2.036 20 0 BEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1(C)CC1 ZINC001353888998 983053348 /nfs/dbraw/zinc/05/33/48/983053348.db2.gz SXTRXEWCWSVRGC-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM [O-]c1cccc(NC(=S)NC2CC2)c1Cl ZINC001200630572 983279300 /nfs/dbraw/zinc/27/93/00/983279300.db2.gz OJKXIWOOWTZOER-UHFFFAOYSA-N -1 1 242.731 2.494 20 0 BEADMM [O-]c1cc(F)ccc1-c1ccc(=S)[nH]n1 ZINC001242218300 983419269 /nfs/dbraw/zinc/41/92/69/983419269.db2.gz RCEBCXYSITYLEH-UHFFFAOYSA-N -1 1 222.244 2.277 20 0 BEADMM Cc1ncncc1-c1ccc(F)cc1[O-] ZINC001242218272 983420089 /nfs/dbraw/zinc/42/00/89/983420089.db2.gz ZKAAGURHBCUCQD-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CC(C)n1cc(-c2ccc(F)cc2[O-])cnc1=O ZINC001242219086 983420182 /nfs/dbraw/zinc/42/01/82/983420182.db2.gz JOHUCZLSNNHRAC-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM [O-]c1cc(F)ccc1-c1cnc(F)nc1F ZINC001242218924 983420239 /nfs/dbraw/zinc/42/02/39/983420239.db2.gz SUZQIIJPLPOWGF-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM NC(=O)c1cccc(-c2ccc(F)cc2[O-])c1F ZINC001242220675 983422938 /nfs/dbraw/zinc/42/29/38/983422938.db2.gz KIZSSZIOXOYHOG-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)NC1CC1 ZINC000082879700 983487270 /nfs/dbraw/zinc/48/72/70/983487270.db2.gz AJPCBAXIBGNSPL-UHFFFAOYSA-N -1 1 226.663 2.330 20 0 BEADMM Cc1cccc(-c2ncc3ncn(C)c3n2)c1[O-] ZINC001242343878 983593698 /nfs/dbraw/zinc/59/36/98/983593698.db2.gz FWOYOYSIRLGDHD-UHFFFAOYSA-N -1 1 240.266 2.044 20 0 BEADMM [O-]c1c(F)cccc1-c1cccn2cnnc12 ZINC001242350216 983614157 /nfs/dbraw/zinc/61/41/57/983614157.db2.gz DBJSMCDUDJNEBL-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CC(C)n1cc(-c2cccc(F)c2[O-])cnc1=O ZINC001242352431 983631319 /nfs/dbraw/zinc/63/13/19/983631319.db2.gz HXFADNAVFVJPQZ-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM [O-]c1c(F)cccc1-c1cc(F)cn2ncnc12 ZINC001242353585 983632129 /nfs/dbraw/zinc/63/21/29/983632129.db2.gz IVYOTIQAAJQXMK-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM CC(C)(C)NC(=O)Nc1ccc(F)cc1[O-] ZINC001202476583 983738362 /nfs/dbraw/zinc/73/83/62/983738362.db2.gz HCLKGTZLMXWOEY-UHFFFAOYSA-N -1 1 226.251 2.451 20 0 BEADMM Fc1nc2nc[nH]c2c(-c2cccc([S-])c2)n1 ZINC001242865436 984209517 /nfs/dbraw/zinc/20/95/17/984209517.db2.gz FOULQXFWTSEEET-UHFFFAOYSA-N -1 1 246.270 2.399 20 0 BEADMM O=C([O-])c1ccccc1-c1cncc2nc[nH]c21 ZINC001242877939 984217379 /nfs/dbraw/zinc/21/73/79/984217379.db2.gz OGJKJJZVUZFGFQ-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM CN(CC1CCCC1)C(=O)c1ccc([O-])cn1 ZINC001442399421 984496574 /nfs/dbraw/zinc/49/65/74/984496574.db2.gz WHCCQYJJOPWTLX-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CN(C(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001446784178 984675498 /nfs/dbraw/zinc/67/54/98/984675498.db2.gz MERXLGRTGQEFTI-JTQLQIEISA-N -1 1 248.326 2.295 20 0 BEADMM C[C@H]1CN(C(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001446784181 984680193 /nfs/dbraw/zinc/68/01/93/984680193.db2.gz MERXLGRTGQEFTI-SNVBAGLBSA-N -1 1 248.326 2.295 20 0 BEADMM Cc1cc(-c2ccc([O-])c(F)c2F)n(C)n1 ZINC001243339325 984829619 /nfs/dbraw/zinc/82/96/19/984829619.db2.gz OJWUEURGRPGAIS-UHFFFAOYSA-N -1 1 224.210 2.379 20 0 BEADMM Nc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243342673 984831978 /nfs/dbraw/zinc/83/19/78/984831978.db2.gz OAPGBIKDBWAPKH-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM Cc1cc(-c2cc(F)cc(F)c2[O-])n(C)n1 ZINC001243505234 985059021 /nfs/dbraw/zinc/05/90/21/985059021.db2.gz XXQZXPRRUGKLAY-UHFFFAOYSA-N -1 1 224.210 2.379 20 0 BEADMM Nc1ccc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243504155 985062821 /nfs/dbraw/zinc/06/28/21/985062821.db2.gz ZDEVJFUARCUFNU-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM COCc1cnc(-c2cccc([O-])c2F)nc1 ZINC001243542068 985074954 /nfs/dbraw/zinc/07/49/54/985074954.db2.gz GFRBQVIGSIBMNB-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM COc1cc(C)nc(-c2cccc([O-])c2F)n1 ZINC001243542605 985079522 /nfs/dbraw/zinc/07/95/22/985079522.db2.gz KWYADFONXOUGGG-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM Nc1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243579255 985133917 /nfs/dbraw/zinc/13/39/17/985133917.db2.gz QPLFKERVKUQJFO-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM [O-]c1cc(-c2cnc3n[nH]nc3c2)ccc1Cl ZINC001243577847 985134210 /nfs/dbraw/zinc/13/42/10/985134210.db2.gz GXXOJYZDRRPLDE-UHFFFAOYSA-N -1 1 246.657 2.379 20 0 BEADMM [O-]c1cc(-c2cncn3cnnc23)ccc1Cl ZINC001243584410 985143559 /nfs/dbraw/zinc/14/35/59/985143559.db2.gz QZFHZDDWAOUCIQ-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM C[C@@H]1CC[C@@H](C(=O)Nc2c[n-][nH]c2=O)C[C@H]1C ZINC001457820951 985241322 /nfs/dbraw/zinc/24/13/22/985241322.db2.gz HGOYXPAXCAQMPF-IWSPIJDZSA-N -1 1 237.303 2.126 20 0 BEADMM C[C@@H](c1nc(C(=O)[O-])co1)N1C[C@@H](C)[C@H](C)C1 ZINC001594499600 985667662 /nfs/dbraw/zinc/66/76/62/985667662.db2.gz OGFVYQLZGSLPFI-HLTSFMKQSA-N -1 1 238.287 2.022 20 0 BEADMM Nc1ncccc1-c1cc(F)c([O-])c(F)c1 ZINC001244095980 985809752 /nfs/dbraw/zinc/80/97/52/985809752.db2.gz FPUTWUQLHAKQAG-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM COc1cc(OC)nc(-c2cc(C)ccc2[O-])n1 ZINC001244401984 986064878 /nfs/dbraw/zinc/06/48/78/986064878.db2.gz NEDLVECSRCSRLS-UHFFFAOYSA-N -1 1 246.266 2.175 20 0 BEADMM Nc1cnc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541272 986238155 /nfs/dbraw/zinc/23/81/55/986238155.db2.gz NFCWTZNXMHKQMD-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM Nc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541804 986239987 /nfs/dbraw/zinc/23/99/87/986239987.db2.gz FSKZEXVGXHFLHA-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM CCCNC(=S)Nc1cc([O-])c(F)cc1F ZINC001244885844 986419445 /nfs/dbraw/zinc/41/94/45/986419445.db2.gz XYLSWCBXDZZMOM-UHFFFAOYSA-N -1 1 246.282 2.367 20 0 BEADMM Cc1cccc(CNC(=O)c2ccc([O-])cn2)c1 ZINC001463966237 986590850 /nfs/dbraw/zinc/59/08/50/986590850.db2.gz JYQXMXLKKXSRDZ-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM Cc1oc(CN2CCC(F)CC2)cc1C(=O)[O-] ZINC000689453233 986615424 /nfs/dbraw/zinc/61/54/24/986615424.db2.gz QTEBXHZQDFXRSG-UHFFFAOYSA-N -1 1 241.262 2.220 20 0 BEADMM CC(C)CNC(=S)Nc1cccc(F)c1[O-] ZINC001245241560 986760848 /nfs/dbraw/zinc/76/08/48/986760848.db2.gz QRCIJOKJIZUVTC-UHFFFAOYSA-N -1 1 242.319 2.474 20 0 BEADMM CC1=CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001466640208 986813545 /nfs/dbraw/zinc/81/35/45/986813545.db2.gz BEJZMISUHYLAKD-UHFFFAOYSA-N -1 1 235.258 2.324 20 0 BEADMM O=C(NC1CC(F)(F)C1)c1cccc([O-])c1F ZINC001466894679 986830008 /nfs/dbraw/zinc/83/00/08/986830008.db2.gz RENSROQOCJOPMG-UHFFFAOYSA-N -1 1 245.200 2.059 20 0 BEADMM CC(C)(F)CCNC(=O)c1cccc([O-])c1F ZINC001469921036 987006661 /nfs/dbraw/zinc/00/66/61/987006661.db2.gz MXMQJKJBDVQQCA-UHFFFAOYSA-N -1 1 243.253 2.399 20 0 BEADMM Cc1cc(-c2c([O-])cccc2F)c(=O)n(C)c1 ZINC001245656475 987038121 /nfs/dbraw/zinc/03/81/21/987038121.db2.gz WDXPKHGAEVPHMV-UHFFFAOYSA-N -1 1 233.242 2.205 20 0 BEADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc([O-])cn1 ZINC001471605553 987097125 /nfs/dbraw/zinc/09/71/25/987097125.db2.gz OFNMUTNJAYUXIW-XHVZSJERSA-N -1 1 246.310 2.096 20 0 BEADMM CCc1cc(=O)n(-c2ccc(NC(C)=O)cc2)[n-]1 ZINC001245918268 987158762 /nfs/dbraw/zinc/15/87/62/987158762.db2.gz VIKMHDJGRYDGCN-UHFFFAOYSA-N -1 1 245.282 2.099 20 0 BEADMM CCc1cc(=O)n(-c2ccc(OC)cc2C)[n-]1 ZINC001245918610 987160352 /nfs/dbraw/zinc/16/03/52/987160352.db2.gz ZVKXRFCJMRELSX-UHFFFAOYSA-N -1 1 232.283 2.457 20 0 BEADMM COc1cc(-n2[n-]c(C)cc2=O)ccc1F ZINC001245927755 987184831 /nfs/dbraw/zinc/18/48/31/987184831.db2.gz FVWJJYRJWHJIEY-UHFFFAOYSA-N -1 1 222.219 2.034 20 0 BEADMM Cc1cc(=O)n(-c2cccc3cccnc32)[n-]1 ZINC001245927935 987187845 /nfs/dbraw/zinc/18/78/45/987187845.db2.gz GMIOFGVCXXWDQL-UHFFFAOYSA-N -1 1 225.251 2.435 20 0 BEADMM CC(C)n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245938102 987206296 /nfs/dbraw/zinc/20/62/96/987206296.db2.gz SQWWUFNUWYVLIR-UHFFFAOYSA-N -1 1 217.272 2.419 20 0 BEADMM C[C@H](C(=O)Nc1c[n-][nH]c1=O)[C@H](C)C(C)(C)C ZINC001472569534 987243363 /nfs/dbraw/zinc/24/33/63/987243363.db2.gz BXHLIMRMVAKSLU-YUMQZZPRSA-N -1 1 239.319 2.372 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001472570008 987244042 /nfs/dbraw/zinc/24/40/42/987244042.db2.gz AMNSESXKKVYRQQ-UWVGGRQHSA-N -1 1 249.314 2.270 20 0 BEADMM CCc1nc([C@@H](C)S[C@@H](C)CC(=O)[O-])n[nH]1 ZINC001597644093 988646654 /nfs/dbraw/zinc/64/66/54/988646654.db2.gz DWERDTOOROPPJX-NKWVEPMBSA-N -1 1 243.332 2.025 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H]1C1CCC1 ZINC001546322546 988864624 /nfs/dbraw/zinc/86/46/24/988864624.db2.gz HEPIHMORYGKZDQ-CYBMUJFWSA-N -1 1 246.310 2.192 20 0 BEADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](F)C1 ZINC001325280990 989142390 /nfs/dbraw/zinc/14/23/90/989142390.db2.gz FSBDBUIQWTUUJR-SSDOTTSWSA-N -1 1 243.665 2.230 20 0 BEADMM CC(C)c1cccc(COCc2nn[n-]n2)c1 ZINC001119607025 989232681 /nfs/dbraw/zinc/23/26/81/989232681.db2.gz RGJMBANUTTTXEM-UHFFFAOYSA-N -1 1 232.287 2.040 20 0 BEADMM O=C([N-]c1cnoc1)c1ccc(F)s1 ZINC001520328457 989542834 /nfs/dbraw/zinc/54/28/34/989542834.db2.gz YXQHCNKQSZUQGA-UHFFFAOYSA-N -1 1 212.205 2.128 20 0 BEADMM O=C(NCCC(F)F)c1c([O-])cccc1Cl ZINC001522722292 989873593 /nfs/dbraw/zinc/87/35/93/989873593.db2.gz SFNIQILHVAHNPM-UHFFFAOYSA-N -1 1 249.644 2.431 20 0 BEADMM Cc1nocc1[N-]C(=O)c1ccc(Cl)o1 ZINC001530846944 990382593 /nfs/dbraw/zinc/38/25/93/990382593.db2.gz LRBGMZQZVKRSRW-UHFFFAOYSA-N -1 1 226.619 2.482 20 0 BEADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc([O-])cn1 ZINC001540130321 990593115 /nfs/dbraw/zinc/59/31/15/990593115.db2.gz XQFDNKUMIFQRRO-SECBINFHSA-N -1 1 246.266 2.213 20 0 BEADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)nc1 ZINC001540707136 990641829 /nfs/dbraw/zinc/64/18/29/990641829.db2.gz VJYAEJFZRPAFNJ-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Cc1ccnc(NC(=O)c2cccc([O-])c2F)c1 ZINC001542065348 990658154 /nfs/dbraw/zinc/65/81/54/990658154.db2.gz ODKAQUKSTVPFJH-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001542627643 990670321 /nfs/dbraw/zinc/67/03/21/990670321.db2.gz NUKLCUSVNBQGNR-QWRGUYRKSA-N -1 1 248.326 2.343 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC2(C)C)c1 ZINC001544230120 990718146 /nfs/dbraw/zinc/71/81/46/990718146.db2.gz QETDQEIPRCTAEX-UHFFFAOYSA-N -1 1 247.294 2.138 20 0 BEADMM O=C([N-]c1c(F)ccnc1F)c1ccsn1 ZINC001544857949 990738689 /nfs/dbraw/zinc/73/86/89/990738689.db2.gz HGBSUKGJNRCRES-UHFFFAOYSA-N -1 1 241.222 2.069 20 0 BEADMM CC[C@H](C)N(OC)C(=O)c1ccc(F)c([O-])c1 ZINC001545622909 990758718 /nfs/dbraw/zinc/75/87/18/990758718.db2.gz MYHFIDCYHWLYNK-QMMMGPOBSA-N -1 1 241.262 2.333 20 0 BEADMM Cc1cnc(C(=O)NC[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC001556469094 990828430 /nfs/dbraw/zinc/82/84/30/990828430.db2.gz WWXOMVVOXMKCPA-GXSJLCMTSA-N -1 1 248.326 2.262 20 0 BEADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccco1 ZINC001556827463 990858795 /nfs/dbraw/zinc/85/87/95/990858795.db2.gz MACYHUFQNIIYKL-SREVYHEPSA-N -1 1 247.254 2.059 20 0 BEADMM O=C(NC/C=C\Cl)c1cc(F)ccc1[O-] ZINC001558706855 990988403 /nfs/dbraw/zinc/98/84/03/990988403.db2.gz UGBHCELGZORHSJ-RJRFIUFISA-N -1 1 229.638 2.014 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)C1CCCCCCC1 ZINC001558988185 991017740 /nfs/dbraw/zinc/01/77/40/991017740.db2.gz FTENVCKFXADQPK-UHFFFAOYSA-N -1 1 237.303 2.414 20 0 BEADMM CC[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001566293306 991836769 /nfs/dbraw/zinc/83/67/69/991836769.db2.gz YSJGQAHLTHOOQL-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cn2)C[C@@H]1C ZINC001567392531 992026395 /nfs/dbraw/zinc/02/63/95/992026395.db2.gz JDIBYDKXUXHLOF-OUAUKWLOSA-N -1 1 248.326 2.342 20 0 BEADMM CC(C)CN(C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591287450 992230411 /nfs/dbraw/zinc/23/04/11/992230411.db2.gz SLEFEURZXOLPGT-QMMMGPOBSA-N -1 1 226.276 2.022 20 0 BEADMM Cc1coc(CN[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001262163055 992729418 /nfs/dbraw/zinc/72/94/18/992729418.db2.gz GHWPQGHBDRKWPJ-JTQLQIEISA-N -1 1 225.288 2.177 20 0 BEADMM C(COCc1nn[n-]n1)CC1CCCCC1 ZINC001262483009 992889489 /nfs/dbraw/zinc/88/94/89/992889489.db2.gz SHARZCDCAVHNPH-UHFFFAOYSA-N -1 1 224.308 2.077 20 0 BEADMM O=c1nc(N2CCC[C@H]2C(F)F)cc(Cl)[n-]1 ZINC001262713625 993052621 /nfs/dbraw/zinc/05/26/21/993052621.db2.gz RWPMQVGDYJOOMO-YFKPBYRVSA-N -1 1 249.648 2.070 20 0 BEADMM C[C@H](NC1CCC(CC(=O)[O-])CC1)C(F)F ZINC001593225738 994349241 /nfs/dbraw/zinc/34/92/41/994349241.db2.gz XIDGFPDAEYFWFI-UEJVZZJDSA-N -1 1 235.274 2.263 20 0 BEADMM C[C@@H](CNC(=O)c1cccc([O-])c1F)C1CC1 ZINC001292066612 994599521 /nfs/dbraw/zinc/59/95/21/994599521.db2.gz WNVBNCYXYDNDJM-QMMMGPOBSA-N -1 1 237.274 2.307 20 0 BEADMM CC1(CNC(=O)c2ccc(F)c([O-])c2)CCC1 ZINC001294282926 994693291 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/nfs/dbraw/zinc/70/60/03/386706003.db2.gz MQSVLUZXJFFNRT-SECBINFHSA-N -1 1 234.299 2.048 20 0 BEADMM CCC[C@H](NC(=O)c1cncc([O-])c1)C1CCC1 ZINC000324970504 386707613 /nfs/dbraw/zinc/70/76/13/386707613.db2.gz LSTUTVCFWZXEKG-ZDUSSCGKSA-N -1 1 248.326 2.486 20 0 BEADMM CCCCOCC(=O)Nc1ccc(F)cc1[O-] ZINC000269053551 386742369 /nfs/dbraw/zinc/74/23/69/386742369.db2.gz ONBPMUMALNKRAR-UHFFFAOYSA-N -1 1 241.262 2.287 20 0 BEADMM C[C@@H]1C[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000280676735 386835442 /nfs/dbraw/zinc/83/54/42/386835442.db2.gz CBBSEORLBCKWEQ-RQJHMYQMSA-N -1 1 241.237 2.056 20 0 BEADMM CCN(CC1CCC1)C(=O)c1ncc(C)cc1[O-] ZINC000358200637 386913630 /nfs/dbraw/zinc/91/36/30/386913630.db2.gz LYIBZTLKYAGLIM-UHFFFAOYSA-N -1 1 248.326 2.358 20 0 BEADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](F)C1 ZINC000334867210 386923141 /nfs/dbraw/zinc/92/31/41/386923141.db2.gz DXKBQQJRIWFEQD-MRVPVSSYSA-N -1 1 243.665 2.230 20 0 BEADMM C(N=c1nc(C2CCC2)[n-]o1)[C@@H]1C[C@H]1C1CC1 ZINC000518903280 386927404 /nfs/dbraw/zinc/92/74/04/386927404.db2.gz WYIWBHKYZHIQSX-QWRGUYRKSA-N -1 1 233.315 2.217 20 0 BEADMM C[C@@]1(O)C[C@H](NCc2cccc(O)c2Cl)C1 ZINC000334955623 387034056 /nfs/dbraw/zinc/03/40/56/387034056.db2.gz NJCRTOYZQIUWFC-WVSHTKLVSA-N -1 1 241.718 2.049 20 0 BEADMM CCCCN(C(=O)c1cncc([O-])c1)C1CC1 ZINC000070074860 387118185 /nfs/dbraw/zinc/11/81/85/387118185.db2.gz UODAIJUMFGODRE-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000229426631 387167603 /nfs/dbraw/zinc/16/76/03/387167603.db2.gz QVNDGKTXVPZNOF-OUAUKWLOSA-N -1 1 248.326 2.294 20 0 BEADMM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)[O-])o1 ZINC000309781613 387219577 /nfs/dbraw/zinc/21/95/77/387219577.db2.gz RIMVRCOSMANTFL-VHSXEESVSA-N -1 1 223.272 2.198 20 0 BEADMM CCN(CC(C)(C)C)C(=O)c1ncccc1[O-] ZINC000292086403 387281288 /nfs/dbraw/zinc/28/12/88/387281288.db2.gz KNHOCHHNCNEWQM-UHFFFAOYSA-N -1 1 236.315 2.295 20 0 BEADMM C[C@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263508766 387383483 /nfs/dbraw/zinc/38/34/83/387383483.db2.gz YAOBCPBKPMLCBP-ZDUSSCGKSA-N -1 1 237.274 2.319 20 0 BEADMM Cc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000575524386 387460336 /nfs/dbraw/zinc/46/03/36/387460336.db2.gz JBUZBAIFEXYADJ-UHFFFAOYSA-N -1 1 231.217 2.482 20 0 BEADMM Cc1nc(SC2CCC2)[n-]c(=O)c1C ZINC000430983064 387668941 /nfs/dbraw/zinc/66/89/41/387668941.db2.gz YWIAYFZJJBCQNQ-UHFFFAOYSA-N -1 1 210.302 2.444 20 0 BEADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])C(F)F ZINC000452251847 387780493 /nfs/dbraw/zinc/78/04/93/387780493.db2.gz UNFBTHIBEBXHCM-QMMMGPOBSA-N -1 1 247.216 2.305 20 0 BEADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])C(F)F ZINC000452251846 387780545 /nfs/dbraw/zinc/78/05/45/387780545.db2.gz UNFBTHIBEBXHCM-MRVPVSSYSA-N -1 1 247.216 2.305 20 0 BEADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)C(F)F ZINC000452266007 387784973 /nfs/dbraw/zinc/78/49/73/387784973.db2.gz QUDNGCTYLNVVMZ-SSDOTTSWSA-N -1 1 247.216 2.305 20 0 BEADMM O=C(NC(CF)CF)c1ccc(Cl)cc1[O-] ZINC000452325734 387803098 /nfs/dbraw/zinc/80/30/98/387803098.db2.gz JCDZLRDZXPWPDZ-UHFFFAOYSA-N -1 1 249.644 2.083 20 0 BEADMM Cc1nsc([N-]C(=O)c2ccoc2Cl)n1 ZINC000235974825 387868920 /nfs/dbraw/zinc/86/89/20/387868920.db2.gz JDBVRTZFLWXWDM-UHFFFAOYSA-N -1 1 243.675 2.345 20 0 BEADMM Cc1ccccc1CNC(=O)c1cncc([O-])c1 ZINC000082305474 388026427 /nfs/dbraw/zinc/02/64/27/388026427.db2.gz KOLCKFIWUMFIFS-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM C[C@H]1CC(NC(=O)c2ncccc2[O-])C[C@H](C)C1 ZINC000084461759 388077894 /nfs/dbraw/zinc/07/78/94/388077894.db2.gz BAYOEWVEQGHOOV-NXEZZACHSA-N -1 1 248.326 2.342 20 0 BEADMM CCOCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456794492 388221824 /nfs/dbraw/zinc/22/18/24/388221824.db2.gz QPYWAASPQIGIDP-UHFFFAOYSA-N -1 1 245.225 2.036 20 0 BEADMM COCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456793463 388222140 /nfs/dbraw/zinc/22/21/40/388222140.db2.gz MGFQOBZYDBRMDH-UHFFFAOYSA-N -1 1 245.225 2.036 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(F)cc1C ZINC000646413133 388352718 /nfs/dbraw/zinc/35/27/18/388352718.db2.gz PVQIHZAVPBXICW-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCC(C)(C)C ZINC000646413063 388352839 /nfs/dbraw/zinc/35/28/39/388352839.db2.gz QZTJOHRULKDDHM-UHFFFAOYSA-N -1 1 225.292 2.189 20 0 BEADMM CCc1ccccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646411876 388353277 /nfs/dbraw/zinc/35/32/77/388353277.db2.gz WGUCVCLNAJJWNF-UHFFFAOYSA-N -1 1 245.282 2.238 20 0 BEADMM CCc1cc(C)c(C(=O)Nc2c(C)[n-][nH]c2=O)o1 ZINC000646413270 388353770 /nfs/dbraw/zinc/35/37/70/388353770.db2.gz YRHCOPKPZLRKTQ-UHFFFAOYSA-N -1 1 249.270 2.140 20 0 BEADMM Cc1cnc(C(=O)N(CC2CC2)C(C)C)c([O-])c1 ZINC000548299186 388527338 /nfs/dbraw/zinc/52/73/38/388527338.db2.gz XWCINMRYLHAZEQ-UHFFFAOYSA-N -1 1 248.326 2.356 20 0 BEADMM CCC[C@H](CC)S(=O)(=O)[N-]CC(C)(F)F ZINC000549914967 388594736 /nfs/dbraw/zinc/59/47/36/388594736.db2.gz NDWCUVNJUHFLGL-QMMMGPOBSA-N -1 1 243.319 2.140 20 0 BEADMM CN(C(=O)c1ccccc1[O-])c1nccs1 ZINC000123819262 388657905 /nfs/dbraw/zinc/65/79/05/388657905.db2.gz CXSZZBOCDVQYNX-UHFFFAOYSA-N -1 1 234.280 2.125 20 0 BEADMM C[C@@H](CC1CC1)NC(=O)c1c([O-])cccc1F ZINC000124318472 388661988 /nfs/dbraw/zinc/66/19/88/388661988.db2.gz BWZWSXXZRGGTHJ-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM O=C(NC(C1CC1)C1CC1)c1cc(F)ccc1[O-] ZINC000128631107 388776674 /nfs/dbraw/zinc/77/66/74/388776674.db2.gz PPRUENJHPVNQHU-UHFFFAOYSA-N -1 1 249.285 2.450 20 0 BEADMM C[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128660144 388779445 /nfs/dbraw/zinc/77/94/45/388779445.db2.gz CBOANPXUTFMCRF-GZMMTYOYSA-N -1 1 237.274 2.450 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1CF ZINC000335978891 134032484 /nfs/dbraw/zinc/03/24/84/134032484.db2.gz NKZNXDHKOOTKOM-VIFPVBQESA-N -1 1 241.237 2.105 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC000336102836 134083636 /nfs/dbraw/zinc/08/36/36/134083636.db2.gz FSTUWLHJRRACTR-MNOVXSKESA-N -1 1 248.326 2.214 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000336102837 134083656 /nfs/dbraw/zinc/08/36/56/134083656.db2.gz FSTUWLHJRRACTR-QWRGUYRKSA-N -1 1 248.326 2.214 20 0 BEADMM Cc1ccc2nc(-c3ccoc3)[n-]c(=O)c2c1 ZINC000171770615 134260861 /nfs/dbraw/zinc/26/08/61/134260861.db2.gz XFGHGPOPCDZJPF-UHFFFAOYSA-N -1 1 226.235 2.492 20 0 BEADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000226204169 134361762 /nfs/dbraw/zinc/36/17/62/134361762.db2.gz OXFCUZGWPDPVBP-VWYCJHECSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2cncc([O-])c2)[C@H](C)C1 ZINC000070115763 134910225 /nfs/dbraw/zinc/91/02/25/134910225.db2.gz ZOUVFFSOXAYQDM-GIPNMCIBSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(N[C@@H]1CC[C@H](F)C1)c1ccc([O-])cc1F ZINC000334165071 135322801 /nfs/dbraw/zinc/32/28/01/135322801.db2.gz ACPVWIHPCJIKEE-JGVFFNPUSA-N -1 1 241.237 2.152 20 0 BEADMM O=C(N[C@@H]1CC[C@H](F)C1)c1c([O-])cccc1F ZINC000334377778 135377837 /nfs/dbraw/zinc/37/78/37/135377837.db2.gz WXUINNAXODTTQJ-JGVFFNPUSA-N -1 1 241.237 2.152 20 0 BEADMM O=C(c1ncccc1[O-])N1CC2(C1)CCCCC2 ZINC000273800728 397749703 /nfs/dbraw/zinc/74/97/03/397749703.db2.gz WZCRWLBKPBYQAO-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM O=C(NC[C@H]1CCCC12CC2)c1ccc([O-])cn1 ZINC001648390453 1172829114 /nfs/dbraw/zinc/82/91/14/1172829114.db2.gz XEYNTJWBQGPVTD-SNVBAGLBSA-N -1 1 246.310 2.097 20 0 BEADMM O=C(NC/C=C/Cl)c1c(F)ccc([O-])c1F ZINC001648416526 1172832786 /nfs/dbraw/zinc/83/27/86/1172832786.db2.gz DGNNHCJFWWNTAJ-DAFODLJHSA-N -1 1 247.628 2.153 20 0 BEADMM CC(C)OCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340327204 167200893 /nfs/dbraw/zinc/20/08/93/167200893.db2.gz DCCKDSKSYVITGL-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000655284304 409790804 /nfs/dbraw/zinc/79/08/04/409790804.db2.gz PEEDHYKBVNNDCG-GXSJLCMTSA-N -1 1 237.274 2.306 20 0 BEADMM Cc1ccccc1[C@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000660848904 409859718 /nfs/dbraw/zinc/85/97/18/409859718.db2.gz RNNXFGGTCMOLFR-JTQLQIEISA-N -1 1 247.298 2.277 20 0 BEADMM CCCn1[n-]c(-c2ccccc2)c(C)c1=O ZINC000128141542 409928630 /nfs/dbraw/zinc/92/86/30/409928630.db2.gz SDSVARYZMJADTR-SNVBAGLBSA-N -1 1 216.284 2.279 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1cc2cccnc2o1 ZINC000650805499 410511467 /nfs/dbraw/zinc/51/14/67/410511467.db2.gz BUHOTSWZYSAKBX-LLVKDONJSA-N -1 1 248.282 2.123 20 0 BEADMM C[C@@H](C1CC1)n1[n-]c2c(c1=O)CCCC2 ZINC000104709145 410649964 /nfs/dbraw/zinc/64/99/64/410649964.db2.gz KSJTVAGSWNGNBL-WPRPVWTQSA-N -1 1 206.289 2.173 20 0 BEADMM CC(C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010470 167034729 /nfs/dbraw/zinc/03/47/29/167034729.db2.gz OCOJPGMIGYGORK-UHFFFAOYSA-N -1 1 205.257 2.109 20 0 BEADMM CC(C)O[N-]C(=O)[C@H](C)c1ccccc1 ZINC000293584479 167278622 /nfs/dbraw/zinc/27/86/22/167278622.db2.gz AYDIXOHHEOSXNJ-SNVBAGLBSA-N -1 1 207.273 2.246 20 0 BEADMM C[C@H](C1CC1)n1[n-]c2c(c1=O)CCCC2 ZINC000104709140 410948390 /nfs/dbraw/zinc/94/83/90/410948390.db2.gz KSJTVAGSWNGNBL-PSASIEDQSA-N -1 1 206.289 2.173 20 0 BEADMM Cc1ccoc1CN(CC(=O)[O-])C1CCC1 ZINC000656100902 411178462 /nfs/dbraw/zinc/17/84/62/411178462.db2.gz FBDVIAZETKMQNA-UHFFFAOYSA-N -1 1 223.272 2.027 20 0 BEADMM Cc1cnc(SCCOC(C)(C)C)[n-]c1=O ZINC000566498214 411296310 /nfs/dbraw/zinc/29/63/10/411296310.db2.gz WCLOVKWQRLKYET-UHFFFAOYSA-N -1 1 242.344 2.398 20 0 BEADMM O=C([O-])[C@@H]1CCN(CC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656765273 411348423 /nfs/dbraw/zinc/34/84/23/411348423.db2.gz JHQOHBZQJNAEDD-IVZWLZJFSA-N -1 1 247.285 2.217 20 0 BEADMM Cc1cnc(SCCOC(C)C)[n-]c1=O ZINC000657261504 411432577 /nfs/dbraw/zinc/43/25/77/411432577.db2.gz XRLLXBWIHBKUDB-UHFFFAOYSA-N -1 1 228.317 2.008 20 0 BEADMM CC[C@H](F)CSc1ncc(C)c(=O)[n-]1 ZINC000657261806 411433920 /nfs/dbraw/zinc/43/39/20/411433920.db2.gz AVYBFBJCEFMRSP-ZETCQYMHSA-N -1 1 216.281 2.331 20 0 BEADMM CCc1nc(SCCF)[n-]c(=O)c1C ZINC000657264938 411437674 /nfs/dbraw/zinc/43/76/74/411437674.db2.gz PGCYZYRBBMQTEL-UHFFFAOYSA-N -1 1 216.281 2.115 20 0 BEADMM CCN(Cc1ccncc1Cl)[C@@H](C)C(=O)[O-] ZINC000662214255 412023269 /nfs/dbraw/zinc/02/32/69/412023269.db2.gz FXCSBQZCVFBDGV-QMMMGPOBSA-N -1 1 242.706 2.030 20 0 BEADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cncc([O-])c1 ZINC000186322159 171156130 /nfs/dbraw/zinc/15/61/30/171156130.db2.gz HFDXPXPGNRSSMP-JOYOIKCWSA-N -1 1 234.299 2.048 20 0 BEADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC000188278431 171160550 /nfs/dbraw/zinc/16/05/50/171160550.db2.gz CHDVLNPCEAYJNM-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM CC[C@@]1(C)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000336494254 171201077 /nfs/dbraw/zinc/20/10/77/171201077.db2.gz IDXHYPUWQCWTLE-ZDUSSCGKSA-N -1 1 234.299 2.049 20 0 BEADMM CCn1ccnc1NC(=O)c1cc(F)ccc1[O-] ZINC000335351426 172226061 /nfs/dbraw/zinc/22/60/61/172226061.db2.gz ZQWLKSSZBUDJTK-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000110511036 176096086 /nfs/dbraw/zinc/09/60/86/176096086.db2.gz OWNIBODCYUSWIP-SNVBAGLBSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ncccc1[O-] ZINC000340998059 176113851 /nfs/dbraw/zinc/11/38/51/176113851.db2.gz ZQRDHEAPVNQAFQ-NXEZZACHSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000042495511 176140881 /nfs/dbraw/zinc/14/08/81/176140881.db2.gz LKKWOASLIUMPKG-MNOVXSKESA-N -1 1 248.326 2.438 20 0 BEADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000037760565 177082951 /nfs/dbraw/zinc/08/29/51/177082951.db2.gz UGKIHERWNLZIDI-UWVGGRQHSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000037760567 177089149 /nfs/dbraw/zinc/08/91/49/177089149.db2.gz UGKIHERWNLZIDI-VHSXEESVSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000109041608 177096423 /nfs/dbraw/zinc/09/64/23/177096423.db2.gz CVMNZRXPKYLXAZ-JTQLQIEISA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000175269618 177152504 /nfs/dbraw/zinc/15/25/04/177152504.db2.gz MPGXOLOIQQTHSA-DTWKUNHWSA-N -1 1 237.274 2.402 20 0 BEADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H](C)C1 ZINC000104428871 177155417 /nfs/dbraw/zinc/15/54/17/177155417.db2.gz RARNFQUGZGNSMD-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263751374 177168077 /nfs/dbraw/zinc/16/80/77/177168077.db2.gz SSJSSBIPFPFBBM-QMMMGPOBSA-N -1 1 249.339 2.239 20 0 BEADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000294406133 177227325 /nfs/dbraw/zinc/22/73/25/177227325.db2.gz YTIRQXWLKYOAOC-YUMQZZPRSA-N -1 1 223.247 2.012 20 0 BEADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000294241015 177429581 /nfs/dbraw/zinc/42/95/81/177429581.db2.gz SCKLQNBPRWCRGN-RQJHMYQMSA-N -1 1 241.237 2.151 20 0 BEADMM CCC(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681016866 487696334 /nfs/dbraw/zinc/69/63/34/487696334.db2.gz LTVZDFDDCTZXQP-UHFFFAOYSA-N -1 1 225.263 2.450 20 0 BEADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H]1C ZINC000681051888 487703390 /nfs/dbraw/zinc/70/33/90/487703390.db2.gz IYJGMQBMVGVEIP-RKDXNWHRSA-N -1 1 237.274 2.259 20 0 BEADMM CN(C(=O)c1ccc([O-])c(F)c1)c1cccnc1 ZINC000681046002 487705837 /nfs/dbraw/zinc/70/58/37/487705837.db2.gz BLOPMABYENILHM-UHFFFAOYSA-N -1 1 246.241 2.203 20 0 BEADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681052460 487706785 /nfs/dbraw/zinc/70/67/85/487706785.db2.gz YKKCJANSRDDYQS-DTWKUNHWSA-N -1 1 237.274 2.402 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000681054294 487708228 /nfs/dbraw/zinc/70/82/28/487708228.db2.gz LHEZYHWVAOKXHJ-PHIMTYICSA-N -1 1 249.285 2.403 20 0 BEADMM CN(CCC1CC1)C(=O)c1ccc([O-])c(F)c1 ZINC000681059182 487709013 /nfs/dbraw/zinc/70/90/13/487709013.db2.gz WUNNMMXWEXANDY-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CCC(F)(F)C1 ZINC000681064060 487710945 /nfs/dbraw/zinc/71/09/45/487710945.db2.gz MKFUNGZNTMHCAP-UHFFFAOYSA-N -1 1 245.200 2.013 20 0 BEADMM CCn1nccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000681480710 487803867 /nfs/dbraw/zinc/80/38/67/487803867.db2.gz DJIVVVWJLSKWNP-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM O=C(c1ncccc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000557920367 322944325 /nfs/dbraw/zinc/94/43/25/322944325.db2.gz ULMKRTUEFDEWBR-LLVKDONJSA-N -1 1 246.310 2.049 20 0 BEADMM CC(C)C(NC(=O)c1cncc([O-])c1)C(C)C ZINC000670810398 487911210 /nfs/dbraw/zinc/91/12/10/487911210.db2.gz PRVOHYIVIIWMRL-UHFFFAOYSA-N -1 1 236.315 2.198 20 0 BEADMM Cc1nc(CN(C)[C@H](C)CC(=O)[O-])sc1C ZINC000563455084 323127099 /nfs/dbraw/zinc/12/70/99/323127099.db2.gz ZNMZHIWAOTVKMO-SSDOTTSWSA-N -1 1 242.344 2.055 20 0 BEADMM COC(C)(C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530007124 323195739 /nfs/dbraw/zinc/19/57/39/323195739.db2.gz XNHBIGQVBVHVSR-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM O=C(CSc1ncc[nH]1)c1ccc([O-])cc1 ZINC000231165980 323909649 /nfs/dbraw/zinc/90/96/49/323909649.db2.gz HXWZIJIJMYBYJL-UHFFFAOYSA-N -1 1 234.280 2.090 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1ccco1 ZINC000529421610 324291760 /nfs/dbraw/zinc/29/17/60/324291760.db2.gz OADZKNONIXZQLB-SSDOTTSWSA-N -1 1 249.270 2.149 20 0 BEADMM CC[C@@](C)(OC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005454 324453781 /nfs/dbraw/zinc/45/37/81/324453781.db2.gz KJVSAZLYLJANGW-GFCCVEGCSA-N -1 1 241.262 2.285 20 0 BEADMM CN(CC1CCC1)C(=O)c1cc(F)ccc1[O-] ZINC000147687356 325769095 /nfs/dbraw/zinc/76/90/95/325769095.db2.gz DGQQIPRHDQQHJI-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CO[C@H]1CCC[C@@H]1Sc1ncc(C)c(=O)[n-]1 ZINC000565430707 325910372 /nfs/dbraw/zinc/91/03/72/325910372.db2.gz FNAPKKCVIVDVEP-IUCAKERBSA-N -1 1 240.328 2.150 20 0 BEADMM O=C(c1cncc([O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000567075345 326112175 /nfs/dbraw/zinc/11/21/75/326112175.db2.gz MWCQKGNCLRGPTK-LLVKDONJSA-N -1 1 246.310 2.049 20 0 BEADMM O=C(NCCCF)c1cc(Cl)ccc1[O-] ZINC000154367337 326141464 /nfs/dbraw/zinc/14/14/64/326141464.db2.gz GBEWJEKYCZROLL-UHFFFAOYSA-N -1 1 231.654 2.135 20 0 BEADMM Cc1n[nH]c(C)c1NC(=O)c1ccc([O-])cc1F ZINC000154803304 326165410 /nfs/dbraw/zinc/16/54/10/326165410.db2.gz BDLGHHRBSFAXGZ-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM O=C(N[C@@H]1C=CCCC1)c1ccc([O-])cc1F ZINC000154983679 326177577 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239.706 2.214 20 0 BEADMM CC1(C)CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858430186 588953827 /nfs/dbraw/zinc/95/38/27/588953827.db2.gz ZCZYEACGUVWBTP-UHFFFAOYSA-N -1 1 227.695 2.072 20 0 BEADMM CC[C@@H]1C[C@@H](C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858430805 588953904 /nfs/dbraw/zinc/95/39/04/588953904.db2.gz GTHBMPVVOROXCL-HTQZYQBOSA-N -1 1 241.722 2.460 20 0 BEADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858458501 588956943 /nfs/dbraw/zinc/95/69/43/588956943.db2.gz XGZFEZWSSXSNCU-ZCFIWIBFSA-N -1 1 227.695 2.436 20 0 BEADMM CCN(CCC1CC1)c1cc(Cl)[n-]c(=O)n1 ZINC000858483208 588959780 /nfs/dbraw/zinc/95/97/80/588959780.db2.gz BZZAAARWEIVRHQ-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM CC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C(F)F ZINC000858557177 588965602 /nfs/dbraw/zinc/96/56/02/588965602.db2.gz JSFZHDKWSILLFS-SCSAIBSYSA-N -1 1 237.637 2.291 20 0 BEADMM C[C@H]1CC(C)(C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858570664 588967801 /nfs/dbraw/zinc/96/78/01/588967801.db2.gz NKGGLIGBZLLIRQ-ZETCQYMHSA-N -1 1 241.722 2.460 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CO[C@@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000901587075 584465129 /nfs/dbraw/zinc/46/51/29/584465129.db2.gz KXWRZICMDMCTLP-SSDOTTSWSA-N -1 1 240.328 2.453 20 0 BEADMM CCCN(CC(=O)[O-])Cc1cc2cnccc2o1 ZINC000901605957 584469006 /nfs/dbraw/zinc/46/90/06/584469006.db2.gz YUNDSKBHARGDMZ-UHFFFAOYSA-N -1 1 248.282 2.124 20 0 BEADMM O=C([O-])c1ccc(CNCC2(F)CC2)c(F)c1 ZINC000901759475 584490235 /nfs/dbraw/zinc/49/02/35/584490235.db2.gz RVZAYHZLBWTYLK-UHFFFAOYSA-N -1 1 241.237 2.116 20 0 BEADMM Cc1occc1CNCc1ccoc1C(=O)[O-] ZINC000902196456 584536994 /nfs/dbraw/zinc/53/69/94/584536994.db2.gz NKZOLGOOHIVVLT-UHFFFAOYSA-N -1 1 235.239 2.169 20 0 BEADMM C[C@@H](CC(C)(C)CC(=O)[O-])NCC(F)F ZINC000902240887 584542388 /nfs/dbraw/zinc/54/23/88/584542388.db2.gz XPPSJRCJFBAKNB-ZETCQYMHSA-N -1 1 223.263 2.121 20 0 BEADMM COc1ccc(C(=O)[O-])cc1CN1CC=CCC1 ZINC000903595691 584785431 /nfs/dbraw/zinc/78/54/31/584785431.db2.gz NFDFCYVFXQOJPR-UHFFFAOYSA-N -1 1 247.294 2.155 20 0 BEADMM C[C@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC000903707570 584791183 /nfs/dbraw/zinc/79/11/83/584791183.db2.gz CMPSZIOUYGZIML-SSDOTTSWSA-N -1 1 225.675 2.129 20 0 BEADMM C[C@H]1CCCC[C@H]1CNCC(F)(F)C(=O)[O-] ZINC000904031600 584838104 /nfs/dbraw/zinc/83/81/04/584838104.db2.gz AFLMQHDJVYVFLF-IUCAKERBSA-N -1 1 235.274 2.122 20 0 BEADMM C[C@H](C(=O)[N-]OCC(F)F)c1cccc(F)c1 ZINC000759352959 584906678 /nfs/dbraw/zinc/90/66/78/584906678.db2.gz XEBZCRRNNDHSOL-ZETCQYMHSA-N -1 1 247.216 2.242 20 0 BEADMM O=C(NC1CCC1)c1c([O-])cccc1Cl ZINC000730593191 584913113 /nfs/dbraw/zinc/91/31/13/584913113.db2.gz MQXOPUXJYXOTTK-UHFFFAOYSA-N -1 1 225.675 2.328 20 0 BEADMM CC(C)c1ocnc1C(=O)[N-]c1cnoc1 ZINC000731983548 584932545 /nfs/dbraw/zinc/93/25/45/584932545.db2.gz GFQALKJKTZINIF-UHFFFAOYSA-N -1 1 221.216 2.038 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccnc1 ZINC000816979099 584981976 /nfs/dbraw/zinc/98/19/76/584981976.db2.gz HWZILPMGCUBHJU-MNOVXSKESA-N -1 1 236.315 2.279 20 0 BEADMM C[C@H](SCc1nn[n-]n1)c1cccs1 ZINC000736189930 584991327 /nfs/dbraw/zinc/99/13/27/584991327.db2.gz DGPNVEMXPIPDSN-LURJTMIESA-N -1 1 226.330 2.256 20 0 BEADMM CCc1cc(C)nc(=NOCC(C)C)[n-]1 ZINC000788076539 584995284 /nfs/dbraw/zinc/99/52/84/584995284.db2.gz OGHJHICCDCFZAY-UHFFFAOYSA-N -1 1 209.293 2.347 20 0 BEADMM CC(C)(C(=O)[N-]O[C@H]1CCCCO1)C1CCC1 ZINC000822925079 585027686 /nfs/dbraw/zinc/02/76/86/585027686.db2.gz WWGYSMQCLKKPRY-NSHDSACASA-N -1 1 241.331 2.387 20 0 BEADMM C[C@@]1(c2ccccc2)C[C@H]1[N-]C(=O)C(F)(F)F ZINC000741730977 585116729 /nfs/dbraw/zinc/11/67/29/585116729.db2.gz MGHVXWZBLYIYFM-KOLCDFICSA-N -1 1 243.228 2.395 20 0 BEADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CC2)c1 ZINC000744485843 585151132 /nfs/dbraw/zinc/15/11/32/585151132.db2.gz CWSBLYGQDRDPET-UHFFFAOYSA-N -1 1 248.278 2.091 20 0 BEADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncccn1 ZINC000754498449 585285270 /nfs/dbraw/zinc/28/52/70/585285270.db2.gz PLIYXAKFUHBXLE-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccon1 ZINC000755741470 585305545 /nfs/dbraw/zinc/30/55/45/585305545.db2.gz BWPXFTWRRGVPKW-UHFFFAOYSA-N -1 1 243.169 2.161 20 0 BEADMM CCc1ccc(CN[C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC000756353893 585318137 /nfs/dbraw/zinc/31/81/37/585318137.db2.gz PILCSGZVKYKLEI-NSHDSACASA-N -1 1 239.315 2.431 20 0 BEADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc[nH]1 ZINC000760727397 585395720 /nfs/dbraw/zinc/39/57/20/585395720.db2.gz KQDBBJHBRKORTO-YFKPBYRVSA-N -1 1 238.184 2.092 20 0 BEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc[nH]1 ZINC000760962093 585402652 /nfs/dbraw/zinc/40/26/52/585402652.db2.gz SICGTTUTTGIWSP-QMMMGPOBSA-N -1 1 248.257 2.350 20 0 BEADMM C[C@H]1CC[C@H](CC(=O)[N-]OCC(F)(F)F)C1 ZINC000766764044 585508208 /nfs/dbraw/zinc/50/82/08/585508208.db2.gz HWLGQWKUSCQMBX-YUMQZZPRSA-N -1 1 239.237 2.423 20 0 BEADMM O=C(OCCCF)c1c([O-])cc(F)cc1F ZINC000767303601 585516427 /nfs/dbraw/zinc/51/64/27/585516427.db2.gz BSSGTHHDRVFLSF-UHFFFAOYSA-N -1 1 234.173 2.187 20 0 BEADMM C[C@H]1CCC[C@H]1CC(=O)[N-]OCC(F)(F)F ZINC000769456926 585557682 /nfs/dbraw/zinc/55/76/82/585557682.db2.gz GQVPAQPJHOPOSL-YUMQZZPRSA-N -1 1 239.237 2.423 20 0 BEADMM O=C([N-]CCCc1cccs1)C(F)(F)F ZINC000770220978 585571926 /nfs/dbraw/zinc/57/19/26/585571926.db2.gz BTICJNFLJMKOEU-UHFFFAOYSA-N -1 1 237.246 2.359 20 0 BEADMM CSCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000776867511 585706291 /nfs/dbraw/zinc/70/62/91/585706291.db2.gz IOWLJZYHMALJPU-UHFFFAOYSA-N -1 1 230.358 2.254 20 0 BEADMM CC[C@@H](OC(=O)c1cn[n-]n1)c1ccccc1 ZINC000805605959 585732612 /nfs/dbraw/zinc/73/26/12/585732612.db2.gz RYWMZZBGQNWTSJ-LLVKDONJSA-N -1 1 231.255 2.113 20 0 BEADMM C[C@H]1CCC[C@@H](CCOC(=O)c2cn[n-]n2)C1 ZINC000805607995 585735436 /nfs/dbraw/zinc/73/54/36/585735436.db2.gz VYCUVIMIUKEIEH-UWVGGRQHSA-N -1 1 237.303 2.178 20 0 BEADMM CON(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798278166 586142239 /nfs/dbraw/zinc/14/22/39/586142239.db2.gz FTDVGZGBFHYSCN-UHFFFAOYSA-N -1 1 249.188 2.044 20 0 BEADMM Cc1nc(SCOC2CCC2)[n-]c(=O)c1C ZINC000808032122 586459909 /nfs/dbraw/zinc/45/99/09/586459909.db2.gz SNLBZHIOGGBGKT-UHFFFAOYSA-N -1 1 240.328 2.418 20 0 BEADMM Cc1ccc(CCC(=O)[N-]OCC(F)F)s1 ZINC000811053790 586554213 /nfs/dbraw/zinc/55/42/13/586554213.db2.gz SEERRMSPMSOJJF-UHFFFAOYSA-N -1 1 249.282 2.302 20 0 BEADMM CCCOCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000818032756 586865976 /nfs/dbraw/zinc/86/59/76/586865976.db2.gz DGFMATNTNHPMPN-UHFFFAOYSA-N -1 1 245.225 2.036 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CC=CCC1 ZINC000820407438 587046688 /nfs/dbraw/zinc/04/66/88/587046688.db2.gz LHJLVPCHVKHBRL-SECBINFHSA-N -1 1 235.287 2.109 20 0 BEADMM C[C@@H]1CCCN(C/C=C\Cl)[C@H]1CNC(=O)[O-] ZINC000825924291 587345227 /nfs/dbraw/zinc/34/52/27/587345227.db2.gz GRCPLHQVZCRAHR-OSCQXZJKSA-N -1 1 246.738 2.107 20 0 BEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC(C)C ZINC000826280614 587351982 /nfs/dbraw/zinc/35/19/82/587351982.db2.gz JBMMUFVUDJIYJL-UHFFFAOYSA-N -1 1 246.318 2.028 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccc(O)c1 ZINC000826626813 587357152 /nfs/dbraw/zinc/35/71/52/587357152.db2.gz AUHJRJWHANXLME-SNVBAGLBSA-N -1 1 249.310 2.344 20 0 BEADMM Cc1ccnc(NC[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000830611925 587559835 /nfs/dbraw/zinc/55/98/35/587559835.db2.gz QHEYNFJSWQKDRO-NSHDSACASA-N -1 1 249.314 2.334 20 0 BEADMM C/C(=C\CN(C)[C@H](C)c1ccccn1)C(=O)[O-] ZINC000833382759 587712002 /nfs/dbraw/zinc/71/20/02/587712002.db2.gz LMSYBHIZJNTGIU-PFEDMVJOSA-N -1 1 234.299 2.105 20 0 BEADMM C/C(=C/CN1CCc2ccc(F)cc2C1)C(=O)[O-] ZINC000833381931 587712093 /nfs/dbraw/zinc/71/20/93/587712093.db2.gz FTMYDURGAWQNHC-WMZJFQQLSA-N -1 1 249.285 2.215 20 0 BEADMM CC1(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000834829658 587768222 /nfs/dbraw/zinc/76/82/22/587768222.db2.gz YOIFTFNMSICALW-UHFFFAOYSA-N -1 1 239.702 2.462 20 0 BEADMM CC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1CC1(C)C ZINC000841451577 587955519 /nfs/dbraw/zinc/95/55/19/587955519.db2.gz STKIQOFHAYKDQN-RNFRBKRXSA-N -1 1 223.238 2.490 20 0 BEADMM CCCc1cccc(CNC[C@@H](F)C(=O)[O-])c1 ZINC000841814783 587975364 /nfs/dbraw/zinc/97/53/64/587975364.db2.gz CNLOPKUMGVASSB-GFCCVEGCSA-N -1 1 239.290 2.151 20 0 BEADMM CC[C@@H](COC(=O)c1ccc([O-])cc1F)OC ZINC000842088796 587998072 /nfs/dbraw/zinc/99/80/72/587998072.db2.gz UGMHJFVTPXGOIR-VIFPVBQESA-N -1 1 242.246 2.113 20 0 BEADMM CCCONC(=O)c1c([O-])cccc1Cl ZINC000844085769 588163570 /nfs/dbraw/zinc/16/35/70/588163570.db2.gz RCYMLFRSYASZBV-UHFFFAOYSA-N -1 1 229.663 2.117 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1cc(C)oc1C ZINC000844935370 588219448 /nfs/dbraw/zinc/21/94/48/588219448.db2.gz CNXOJRVKSNKWNE-LLVKDONJSA-N -1 1 225.288 2.191 20 0 BEADMM COC(=O)c1c[n-]c(SCC2CC=CC2)n1 ZINC000849892960 588507825 /nfs/dbraw/zinc/50/78/25/588507825.db2.gz UIBVHGLWKCZCAS-UHFFFAOYSA-N -1 1 238.312 2.255 20 0 BEADMM Cc1cnc(SCOCC(C)C)[n-]c1=O ZINC000865369470 589427429 /nfs/dbraw/zinc/42/74/29/589427429.db2.gz XJHRYHFSUYSAOD-UHFFFAOYSA-N -1 1 228.317 2.213 20 0 BEADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccncc1 ZINC000868554176 589563812 /nfs/dbraw/zinc/56/38/12/589563812.db2.gz PQIMNRIJSYDYMK-JTQLQIEISA-N -1 1 234.299 2.033 20 0 BEADMM O=C(Cc1ccc([O-])c(Cl)c1)OCCCF ZINC000869737001 589625699 /nfs/dbraw/zinc/62/56/99/589625699.db2.gz YHSYBPMHFFWBFK-UHFFFAOYSA-N -1 1 246.665 2.491 20 0 BEADMM CC(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000871596664 589771141 /nfs/dbraw/zinc/77/11/41/589771141.db2.gz AGAAFISRHQHMPN-UHFFFAOYSA-N -1 1 227.691 2.318 20 0 BEADMM CC1(C)CCc2c([n-]n(CC3CC3)c2=O)C1 ZINC000871942327 589832916 /nfs/dbraw/zinc/83/29/16/589832916.db2.gz GONPQAOYBJJCQD-SNVBAGLBSA-N -1 1 220.316 2.421 20 0 BEADMM Cc1[n-]n(CC2CCCCC2)c(=O)c1C ZINC000871945022 589834011 /nfs/dbraw/zinc/83/40/11/589834011.db2.gz UOYHTPSJMDZVQB-VIFPVBQESA-N -1 1 208.305 2.421 20 0 BEADMM Cc1c(-c2ccccc2)[n-]n(C2CCC2)c1=O ZINC000871942079 589835907 /nfs/dbraw/zinc/83/59/07/589835907.db2.gz BTAVLMMJJJHQIM-SNVBAGLBSA-N -1 1 228.295 2.422 20 0 BEADMM Cc1c(-c2ccccc2)[n-]n(CC2CC2)c1=O ZINC000871943249 589836972 /nfs/dbraw/zinc/83/69/72/589836972.db2.gz CZRZPTDRQKZLRD-JTQLQIEISA-N -1 1 228.295 2.279 20 0 BEADMM CCc1[n-]n(Cc2ccc(C)cc2)c(=O)c1F ZINC000871943657 589837957 /nfs/dbraw/zinc/83/79/57/589837957.db2.gz PBUHEUZIRLNRTN-GFCCVEGCSA-N -1 1 234.274 2.441 20 0 BEADMM CCc1[n-]n(Cc2cccc(F)c2)c(=O)c1F ZINC000871945406 589838652 /nfs/dbraw/zinc/83/86/52/589838652.db2.gz OPQIUXZNNHIPER-LLVKDONJSA-N -1 1 238.237 2.272 20 0 BEADMM CCc1[n-]n(-c2ncccc2Cl)c(=O)c1F ZINC000871948021 589838674 /nfs/dbraw/zinc/83/86/74/589838674.db2.gz OQCLXPSWKNQKJL-QMMMGPOBSA-N -1 1 241.653 2.186 20 0 BEADMM Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1F ZINC000871948411 589839303 /nfs/dbraw/zinc/83/93/03/589839303.db2.gz NQUXZLHQBXVZTD-SNVBAGLBSA-N -1 1 224.210 2.195 20 0 BEADMM CCc1[n-]n(C(CC)CC)c(=O)c1F ZINC000871951143 589840208 /nfs/dbraw/zinc/84/02/08/589840208.db2.gz KJXCWDMCYHAKPN-VIFPVBQESA-N -1 1 200.257 2.121 20 0 BEADMM CCc1[n-]n(-c2cccnc2Cl)c(=O)c1F ZINC000871952789 589841507 /nfs/dbraw/zinc/84/15/07/589841507.db2.gz OYZCBTCDNPNNMF-QMMMGPOBSA-N -1 1 241.653 2.186 20 0 BEADMM CCc1[n-]n(Cc2ccccc2F)c(=O)c1F ZINC000871954078 589842452 /nfs/dbraw/zinc/84/24/52/589842452.db2.gz KEUSGOOKYJKQLD-NSHDSACASA-N -1 1 238.237 2.272 20 0 BEADMM Cc1cccnc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000871955890 589843541 /nfs/dbraw/zinc/84/35/41/589843541.db2.gz UMXKPMGPEZCANS-KWQFWETISA-N -1 1 229.283 2.139 20 0 BEADMM COC[C@@H](C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871955840 589843613 /nfs/dbraw/zinc/84/36/13/589843613.db2.gz ZFWZVYVCGBAYPP-ZJUUUORDSA-N -1 1 238.331 2.046 20 0 BEADMM CCc1[n-]n(-c2cccc(F)c2F)c(=O)c1F ZINC000871956297 589843749 /nfs/dbraw/zinc/84/37/49/589843749.db2.gz OFSLPWPXTSFJQP-SNVBAGLBSA-N -1 1 242.200 2.416 20 0 BEADMM Cc1[n-]n(-c2cc(F)ccc2C)c(=O)c1F ZINC000871960281 589845122 /nfs/dbraw/zinc/84/51/22/589845122.db2.gz XTVQQABSOFZUMR-SNVBAGLBSA-N -1 1 224.210 2.195 20 0 BEADMM O=c1nc(N[C@@H]2CC23CCC3)cc(Cl)[n-]1 ZINC000872774638 589967587 /nfs/dbraw/zinc/96/75/87/589967587.db2.gz FKEJKIFVMLEXAN-ZCFIWIBFSA-N -1 1 225.679 2.190 20 0 BEADMM CC1(Nc2cc(Cl)[n-]c(=O)n2)CC(F)(F)C1 ZINC000872778588 589969464 /nfs/dbraw/zinc/96/94/64/589969464.db2.gz AXLRCLXFIVKZGT-UHFFFAOYSA-N -1 1 249.648 2.435 20 0 BEADMM O=C([N-]Oc1ccccc1F)[C@H]1C[C@@H]1C1CC1 ZINC000874911409 590154803 /nfs/dbraw/zinc/15/48/03/590154803.db2.gz SIHVRDBMDGLJEB-ZJUUUORDSA-N -1 1 235.258 2.282 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cccc3c2CCC3)S1 ZINC000874930250 590156031 /nfs/dbraw/zinc/15/60/31/590156031.db2.gz ZAVBOXPTBWZYDJ-XFFZJAGNSA-N -1 1 245.303 2.499 20 0 BEADMM CCN(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392723 590197069 /nfs/dbraw/zinc/19/70/69/590197069.db2.gz DDCQSVIHYBHONG-UHFFFAOYSA-N -1 1 242.706 2.207 20 0 BEADMM CCCCCC[C@@H](CC)C(=O)Nc1nnn[n-]1 ZINC000135467414 592013576 /nfs/dbraw/zinc/01/35/76/592013576.db2.gz HPTMHYOVZJIGQO-SECBINFHSA-N -1 1 239.323 2.135 20 0 BEADMM CCCCCC[C@@H](CC)C(=O)Nc1nn[n-]n1 ZINC000135467414 592013578 /nfs/dbraw/zinc/01/35/78/592013578.db2.gz HPTMHYOVZJIGQO-SECBINFHSA-N -1 1 239.323 2.135 20 0 BEADMM O=C(NCC1CCC=CCC1)c1cncc([O-])c1 ZINC000886017830 592131920 /nfs/dbraw/zinc/13/19/20/592131920.db2.gz PMIYIQKAJYDEKC-UHFFFAOYSA-N -1 1 246.310 2.263 20 0 BEADMM O=c1c2c([n-]n1[C@H]1CCCSC1)CCCC2 ZINC000887296722 592477890 /nfs/dbraw/zinc/47/78/90/592477890.db2.gz JWACXMWYYQKZQU-VHSXEESVSA-N -1 1 238.356 2.270 20 0 BEADMM CCc1c(C)[n-]n([C@@H]2CCCSC2)c1=O ZINC000887296527 592477969 /nfs/dbraw/zinc/47/79/69/592477969.db2.gz DTLPVZOAXMJTAQ-ZJUUUORDSA-N -1 1 226.345 2.126 20 0 BEADMM CCc1c(C)[n-]n([C@H]2CCCSC2)c1=O ZINC000887296526 592478531 /nfs/dbraw/zinc/47/85/31/592478531.db2.gz DTLPVZOAXMJTAQ-VHSXEESVSA-N -1 1 226.345 2.126 20 0 BEADMM O=C(c1ncccc1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889405034 592609285 /nfs/dbraw/zinc/60/92/85/592609285.db2.gz HRLHAMUBVVQDHN-LLVKDONJSA-N -1 1 246.310 2.192 20 0 BEADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc([O-])c(F)c1 ZINC000889603933 592626429 /nfs/dbraw/zinc/62/64/29/592626429.db2.gz UDBBABHSRBBGCM-MKPLZMMCSA-N -1 1 249.285 2.450 20 0 BEADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC000095258670 599415846 /nfs/dbraw/zinc/41/58/46/599415846.db2.gz PVCZOZQARJYTRF-SECBINFHSA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC000095258670 599415849 /nfs/dbraw/zinc/41/58/49/599415849.db2.gz PVCZOZQARJYTRF-SECBINFHSA-N -1 1 246.318 2.108 20 0 BEADMM C/C(=C/CN(C)Cc1ccoc1C)C(=O)[O-] ZINC000084002613 601158072 /nfs/dbraw/zinc/15/80/72/601158072.db2.gz QVROWACERWZAFB-WTKPLQERSA-N -1 1 223.272 2.051 20 0 BEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C/C=C/Cl ZINC000739014123 602275822 /nfs/dbraw/zinc/27/58/22/602275822.db2.gz ZMVFGUMLIMAQIZ-RQMIITCSSA-N -1 1 246.738 2.250 20 0 BEADMM CCN(CCNCc1ccc(Cl)o1)C(=O)[O-] ZINC000739433906 602311436 /nfs/dbraw/zinc/31/14/36/602311436.db2.gz KCKUMRAHCIFFBZ-UHFFFAOYSA-N -1 1 246.694 2.023 20 0 BEADMM O=C([O-])c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000706432455 604379230 /nfs/dbraw/zinc/37/92/30/604379230.db2.gz ITZLGFJYMNOUMD-UHFFFAOYSA-N -1 1 241.237 2.082 20 0 BEADMM CCc1ccc(CN(C)C(C)(C)C(=O)[O-])o1 ZINC000083408848 604626370 /nfs/dbraw/zinc/62/63/70/604626370.db2.gz MQDYFMYAKXIMCI-UHFFFAOYSA-N -1 1 225.288 2.137 20 0 BEADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](C(=O)[O-])C2CC2)o1 ZINC000226422288 605063169 /nfs/dbraw/zinc/06/31/69/605063169.db2.gz TXLBYICWEHLOQR-YDEJPDAXSA-N -1 1 249.310 2.356 20 0 BEADMM CC(C)(C[N-]C(=O)C(F)(F)F)c1ccncc1 ZINC000258826624 635208589 /nfs/dbraw/zinc/20/85/89/635208589.db2.gz RNIQNJDNYVHOIE-UHFFFAOYSA-N -1 1 246.232 2.038 20 0 BEADMM Cc1[n-]n(-c2cc(C)ccn2)c(=O)c1C(C)C ZINC000108459909 635875231 /nfs/dbraw/zinc/87/52/31/635875231.db2.gz BWWHWMJEVVOGTP-GFCCVEGCSA-N -1 1 231.299 2.385 20 0 BEADMM FC(F)C[N-]c1nc(-c2ccccc2)no1 ZINC000309595633 633963779 /nfs/dbraw/zinc/96/37/79/633963779.db2.gz UMYPRJYUXZHHAR-UHFFFAOYSA-N -1 1 225.198 2.414 20 0 BEADMM CC(C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188357717 634141012 /nfs/dbraw/zinc/14/10/12/634141012.db2.gz UPADUBIIWWBTHY-UHFFFAOYSA-N -1 1 228.679 2.425 20 0 BEADMM Cc1n[n-]c(=NCc2cccs2)n1C1CC1 ZINC000336700849 635220448 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/nfs/dbraw/zinc/17/24/88/984172488.db2.gz XZTLXIOMWILPSG-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM Cn1ccc(-c2cccc([O-])c2Cl)cc1=O ZINC001242799330 984172631 /nfs/dbraw/zinc/17/26/31/984172631.db2.gz FVKQAALEGXWBIV-UHFFFAOYSA-N -1 1 235.670 2.411 20 0 BEADMM [S-]c1cccc(-c2ncc3c(n2)CNC3)c1 ZINC001242866316 984213197 /nfs/dbraw/zinc/21/31/97/984213197.db2.gz SZOXNNJZNBYVNT-UHFFFAOYSA-N -1 1 229.308 2.036 20 0 BEADMM O=C([O-])c1ccccc1-c1cccc2[nH]nnc21 ZINC001242878458 984218075 /nfs/dbraw/zinc/21/80/75/984218075.db2.gz UBBGTWYIPPCCMU-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM Cc1nc(-c2ccc(F)c([O-])c2)nc2[nH]cnc21 ZINC001243049416 984403684 /nfs/dbraw/zinc/40/36/84/984403684.db2.gz SXVAAGZKFZSGGM-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM CCCCN(CC)C(=O)c1ccc([O-])cn1 ZINC001440440015 984415990 /nfs/dbraw/zinc/41/59/90/984415990.db2.gz VWBRLFMQPAIDGN-UHFFFAOYSA-N -1 1 222.288 2.049 20 0 BEADMM Nc1cnc(-c2ccc(F)c([O-])c2)c(F)c1 ZINC001243054713 984419586 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BEADMM C[C@H](CNC(=O)c1cccc([O-])c1F)C1CC1 ZINC001292066607 994596916 /nfs/dbraw/zinc/59/69/16/994596916.db2.gz WNVBNCYXYDNDJM-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM Cc1ccsc1CNC(=O)c1ccc([O-])cn1 ZINC001292235693 994605838 /nfs/dbraw/zinc/60/58/38/994605838.db2.gz MDORMAAZTXSSPB-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM COC/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001295292319 994751597 /nfs/dbraw/zinc/75/15/97/994751597.db2.gz QCZPYIUACLUHCS-NSCUHMNNSA-N -1 1 241.674 2.187 20 0 BEADMM CS[C@@H](C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001295418466 994753613 /nfs/dbraw/zinc/75/36/13/994753613.db2.gz QMNHJOALWORRKA-ZETCQYMHSA-N -1 1 243.303 2.013 20 0 BEADMM CC1(C)CCC[C@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001296531596 994820650 /nfs/dbraw/zinc/82/06/50/994820650.db2.gz ADFQMDZZBVQEJK-JTQLQIEISA-N -1 1 248.326 2.486 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)C1(C2CCC2)CCC1 ZINC001306848011 995264398 /nfs/dbraw/zinc/26/43/98/995264398.db2.gz INGHXPSDLIUUMC-UHFFFAOYSA-N -1 1 235.287 2.024 20 0 BEADMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)sc1C ZINC001306848290 995265105 /nfs/dbraw/zinc/26/51/05/995265105.db2.gz IFPYAUKNRRHSBI-UHFFFAOYSA-N -1 1 237.284 2.046 20 0 BEADMM Cc1c(C(=O)[O-])cc(CN2CC=C(C)CC2)n1C ZINC001609828315 1170298313 /nfs/dbraw/zinc/29/83/13/1170298313.db2.gz AHHNFBBIQBLWNN-UHFFFAOYSA-N -1 1 248.326 2.184 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2ccc(F)c(C)c2)c1[O-] ZINC001611508752 1170439150 /nfs/dbraw/zinc/43/91/50/1170439150.db2.gz GIMLTAADXZCWMQ-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM CC[C@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001622251613 1170878962 /nfs/dbraw/zinc/87/89/62/1170878962.db2.gz ZEOSYEACDDGIRI-VIFPVBQESA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([O-])cn1 ZINC001627326850 1171162742 /nfs/dbraw/zinc/16/27/42/1171162742.db2.gz YPXLQACNSCJHJD-NXEZZACHSA-N -1 1 234.299 2.190 20 0 BEADMM CC1(NC(=O)c2ccc(F)c([O-])c2)CC=CC1 ZINC001628128310 1171207469 /nfs/dbraw/zinc/20/74/69/1171207469.db2.gz OGWGVNMXRNLANI-UHFFFAOYSA-N -1 1 235.258 2.370 20 0 BEADMM CCC1(C)CN(C(=O)c2cccc([O-])c2F)C1 ZINC001628253422 1171218129 /nfs/dbraw/zinc/21/81/29/1171218129.db2.gz RBXFTCKRKPNCGQ-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CC[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001628452547 1171236630 /nfs/dbraw/zinc/23/66/30/1171236630.db2.gz SDIRWPXFQVIYQI-ZETCQYMHSA-N -1 1 211.236 2.060 20 0 BEADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)C[C@H]1C ZINC001628704213 1171259276 /nfs/dbraw/zinc/25/92/76/1171259276.db2.gz QZHIQSRDNRFDDT-DTORHVGOSA-N -1 1 237.274 2.259 20 0 BEADMM O=C(Nc1ccns1)c1cccc([O-])c1F ZINC001631136058 1171441399 /nfs/dbraw/zinc/44/13/99/1171441399.db2.gz DUUPMZOANAYZEG-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM O=C(NCC1(C2CC2)CCC1)c1ccc([O-])cn1 ZINC001631204042 1171446481 /nfs/dbraw/zinc/44/64/81/1171446481.db2.gz CNNWABLXJXSULL-UHFFFAOYSA-N -1 1 246.310 2.097 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001631616449 1171465648 /nfs/dbraw/zinc/46/56/48/1171465648.db2.gz VFKNTOGTRDXIKD-SNVBAGLBSA-N -1 1 234.299 2.049 20 0 BEADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1F ZINC001632045703 1171493146 /nfs/dbraw/zinc/49/31/46/1171493146.db2.gz YWCDJZIJUOJNEU-OPRDCNLKSA-N -1 1 249.285 2.450 20 0 BEADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001632329114 1171500934 /nfs/dbraw/zinc/50/09/34/1171500934.db2.gz IFYDQIUMVUCUOX-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM CC[C@H]1CCN(C(=O)c2ncc(C)cc2[O-])[C@H]1C ZINC001633403203 1171575378 /nfs/dbraw/zinc/57/53/78/1171575378.db2.gz BPQHZPLMYZKTOS-QWRGUYRKSA-N -1 1 248.326 2.356 20 0 BEADMM CC(C)[C@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001634394814 1171650244 /nfs/dbraw/zinc/65/02/44/1171650244.db2.gz ZKIVGXIEAIHZEH-GFCCVEGCSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1cccc(C)c1NC(=O)c1cnncc1[O-] ZINC001634762553 1171678352 /nfs/dbraw/zinc/67/83/52/1171678352.db2.gz DUWYZOCMSPFUKH-UHFFFAOYSA-N -1 1 243.266 2.051 20 0 BEADMM C[C@@H](N(C)C(=O)c1ccc([O-])cn1)C1(C)CC1 ZINC001635199630 1171706469 /nfs/dbraw/zinc/70/64/69/1171706469.db2.gz HDEVGOGLBKCGKR-SECBINFHSA-N -1 1 234.299 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Cc1cnc(C(=O)N[C@H](C)CC(C)C)c([O-])c1 ZINC000427633663 323004728 /nfs/dbraw/zinc/00/47/28/323004728.db2.gz LOKNKMASFSQAEL-SNVBAGLBSA-N -1 1 236.315 2.260 20 0 BEADMM CCc1ccc([C@H]2CCCN2[C@H](C)C(=O)[O-])o1 ZINC000576668387 365654016 /nfs/dbraw/zinc/65/40/16/365654016.db2.gz WZTQBUMZQHIAGO-MWLCHTKSSA-N -1 1 237.299 2.452 20 0 BEADMM CCc1ccc(CN2CCC[C@@]2(C)C(=O)[O-])nc1 ZINC000385965196 398262779 /nfs/dbraw/zinc/26/27/79/398262779.db2.gz LIMOMMXFRMNYGV-AWEZNQCLSA-N -1 1 248.326 2.083 20 0 BEADMM CCCN(CCC)Cc1nc(C(=O)[O-])cs1 ZINC000031945131 342792630 /nfs/dbraw/zinc/79/26/30/342792630.db2.gz LKKYOMRHJCCJIK-UHFFFAOYSA-N -1 1 242.344 2.463 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccccc3)c(=O)c21 ZINC000634582416 342798215 /nfs/dbraw/zinc/79/82/15/342798215.db2.gz SRWCGUCHLIOZKU-CABZTGNLSA-N -1 1 214.268 2.435 20 0 BEADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]1F ZINC000335517113 398290294 /nfs/dbraw/zinc/29/02/94/398290294.db2.gz XBIIRYRKLIPXDE-HQJQHLMTSA-N -1 1 245.200 2.357 20 0 BEADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@@H]1C1CC1 ZINC000335681828 398292984 /nfs/dbraw/zinc/29/29/84/398292984.db2.gz NYINHFWDDQKPPJ-GFCCVEGCSA-N -1 1 246.310 2.048 20 0 BEADMM COc1cc(NC(=O)c2ccccc2[O-])ccn1 ZINC000381096426 538994542 /nfs/dbraw/zinc/99/45/42/538994542.db2.gz OVLZJLGJPAQRMW-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM CCCCC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000631017293 398310936 /nfs/dbraw/zinc/31/09/36/398310936.db2.gz LHJQOHAWTQWDPL-UHFFFAOYSA-N -1 1 240.328 2.342 20 0 BEADMM CCn1[n-]c2c(c1=O)C[C@H](C(C)C)CC2 ZINC000634584773 342901071 /nfs/dbraw/zinc/90/10/71/342901071.db2.gz MRGSDJWHFRNJHM-ZJUUUORDSA-N -1 1 208.305 2.277 20 0 BEADMM CCn1cc([N-]c2nn3cc(C)nc3s2)cn1 ZINC000077306490 342903270 /nfs/dbraw/zinc/90/32/70/342903270.db2.gz ZZODDQOBNNNPAK-UHFFFAOYSA-N -1 1 248.315 2.059 20 0 BEADMM CCCCn1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634585581 342928631 /nfs/dbraw/zinc/92/86/31/342928631.db2.gz KPSQXRYDGPZARL-VHSXEESVSA-N -1 1 208.305 2.421 20 0 BEADMM COc1cccc(-n2[n-]c(C)c(C3CC3)c2=O)c1 ZINC000634585467 342928670 /nfs/dbraw/zinc/92/86/70/342928670.db2.gz HVHXGRXOKYPJCR-ZDUSSCGKSA-N -1 1 244.294 2.444 20 0 BEADMM CCCCn1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634585582 342928689 /nfs/dbraw/zinc/92/86/89/342928689.db2.gz KPSQXRYDGPZARL-ZJUUUORDSA-N -1 1 208.305 2.421 20 0 BEADMM C[C@H]1CCc2c1[n-]n(C1CCCC1)c2=O ZINC000634587981 342933083 /nfs/dbraw/zinc/93/30/83/342933083.db2.gz FRENYAMBXYPYPK-WCBMZHEXSA-N -1 1 206.289 2.173 20 0 BEADMM CCCC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000351653983 136249366 /nfs/dbraw/zinc/24/93/66/136249366.db2.gz XUXIHAJKGMZMRE-UHFFFAOYSA-N -1 1 240.328 2.260 20 0 BEADMM COc1ccc(-n2[n-]c(C)c(C3CC3)c2=O)cc1 ZINC000634593558 342951425 /nfs/dbraw/zinc/95/14/25/342951425.db2.gz SGKUBHXXMYCEFW-ZDUSSCGKSA-N -1 1 244.294 2.444 20 0 BEADMM O=c1cc(-c2ccc[nH]2)[n-]n1C1CCCCC1 ZINC000634594239 342953605 /nfs/dbraw/zinc/95/36/05/342953605.db2.gz PBZKQHDKPWYETN-UHFFFAOYSA-N -1 1 231.299 2.284 20 0 BEADMM CC(C)(C)c1nc(CNCCC(=O)[O-])cs1 ZINC000035386012 187208256 /nfs/dbraw/zinc/20/82/56/187208256.db2.gz DPTVQJSVSALXRL-UHFFFAOYSA-N -1 1 242.344 2.005 20 0 BEADMM C[C@@H](C1CC1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634597927 342977966 /nfs/dbraw/zinc/97/79/66/342977966.db2.gz YUXAOXRNJUOXJP-YWVKMMECSA-N -1 1 220.316 2.419 20 0 BEADMM CCc1c(C(C)C)[n-]n(C[C@H]2CCCO2)c1=O ZINC000634598364 342983249 /nfs/dbraw/zinc/98/32/49/342983249.db2.gz JCOLMIZRORLYJV-GHMZBOCLSA-N -1 1 238.331 2.046 20 0 BEADMM Cc1cnccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634606498 343001655 /nfs/dbraw/zinc/00/16/55/343001655.db2.gz UNMJKFUHNKNQGV-PRHODGIISA-N -1 1 229.283 2.139 20 0 BEADMM Cc1[n-]n(-c2ccnc(C)c2)c(=O)c1C1CC1 ZINC000634619041 343017966 /nfs/dbraw/zinc/01/79/66/343017966.db2.gz MVLPMZVWGCHTMY-GFCCVEGCSA-N -1 1 229.283 2.139 20 0 BEADMM CCCCCn1[n-]c2c(c1=O)CC[C@@H]2C ZINC000634619055 343017980 /nfs/dbraw/zinc/01/79/80/343017980.db2.gz NKGISWKVOBKLJQ-UWVGGRQHSA-N -1 1 208.305 2.421 20 0 BEADMM CCc1c(C)[n-]n(-c2ccnc(C)c2)c1=O ZINC000634619252 343018443 /nfs/dbraw/zinc/01/84/43/343018443.db2.gz TVPJHYHHDPQAEK-NSHDSACASA-N -1 1 217.272 2.139 20 0 BEADMM CCc1c(C)[n-]n(-c2ccc3n[nH]cc3c2)c1=O ZINC000634620340 343019225 /nfs/dbraw/zinc/01/92/25/343019225.db2.gz AFPSXEVVKXFRAC-NSHDSACASA-N -1 1 242.282 2.312 20 0 BEADMM CCc1c(C(C)C)[n-]n([C@@H]2CCCOC2)c1=O ZINC000634622534 343022798 /nfs/dbraw/zinc/02/27/98/343022798.db2.gz HRZSFQTVHMTHRB-MNOVXSKESA-N -1 1 238.331 2.046 20 0 BEADMM CCc1c(C(C)C)[n-]n([C@@H]2CCSC2)c1=O ZINC000634627416 343033036 /nfs/dbraw/zinc/03/30/36/343033036.db2.gz CAETUESINZFYJR-ZJUUUORDSA-N -1 1 240.372 2.372 20 0 BEADMM O=c1c2c([n-]n1C[C@@H]1CCSC1)CCCC2 ZINC000634628620 343036067 /nfs/dbraw/zinc/03/60/67/343036067.db2.gz BMEJSZSUIBIUCD-UWVGGRQHSA-N -1 1 238.356 2.128 20 0 BEADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)CCC2 ZINC000634626901 343036554 /nfs/dbraw/zinc/03/65/54/343036554.db2.gz PJQQHFZKVMZDSW-KOLCDFICSA-N -1 1 229.283 2.141 20 0 BEADMM CCCc1c(C)[n-]n(C[C@H]2CCSC2)c1=O ZINC000634629463 343037092 /nfs/dbraw/zinc/03/70/92/343037092.db2.gz VFMZWZPGHNBZET-MNOVXSKESA-N -1 1 240.372 2.374 20 0 BEADMM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C ZINC000634630483 343039287 /nfs/dbraw/zinc/03/92/87/343039287.db2.gz XAIQOYZGGZTCEF-VIFPVBQESA-N -1 1 208.305 2.421 20 0 BEADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])cn1 ZINC001638511703 1172023144 /nfs/dbraw/zinc/02/31/44/1172023144.db2.gz PEKSAWKTCHPZOR-QMTHXVAHSA-N -1 1 248.326 2.486 20 0 BEADMM C[C@H]1CCC[C@H](CNC(=O)c2cncc([O-])c2)C1 ZINC000171866088 259358512 /nfs/dbraw/zinc/35/85/12/259358512.db2.gz OSGOMHRVIFVYTA-QWRGUYRKSA-N -1 1 248.326 2.343 20 0 BEADMM C[C@H]1CC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335721309 136345771 /nfs/dbraw/zinc/34/57/71/136345771.db2.gz CNRCDXBJLKAHNG-POYBYMJQSA-N -1 1 241.237 2.199 20 0 BEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC(C)(C)C2)n1 ZINC000192606067 365779587 /nfs/dbraw/zinc/77/95/87/365779587.db2.gz ZRBPUNMIMMAXOM-SNVBAGLBSA-N -1 1 235.331 2.284 20 0 BEADMM Cc1cc(C)c(C(=O)Nc2c[n-][nH]c2=O)s1 ZINC001638735477 1172039791 /nfs/dbraw/zinc/03/97/91/1172039791.db2.gz KAIJWHYDEAJXSM-UHFFFAOYSA-N -1 1 237.284 2.046 20 0 BEADMM CS[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000227355838 344078568 /nfs/dbraw/zinc/07/85/68/344078568.db2.gz XSPVTQSDGWPQIA-RNFRBKRXSA-N -1 1 241.278 2.339 20 0 BEADMM O=C(CSC1CC1)Nc1cccc(F)c1[O-] ZINC000600444986 344120881 /nfs/dbraw/zinc/12/08/81/344120881.db2.gz KQWPWKJASNPHCA-UHFFFAOYSA-N -1 1 241.287 2.365 20 0 BEADMM Cc1ccc(SCc2nn[n-]n2)cc1C ZINC000095212905 344334030 /nfs/dbraw/zinc/33/40/30/344334030.db2.gz AJCJGVGIBPZDOZ-UHFFFAOYSA-N -1 1 220.301 2.109 20 0 BEADMM CC1CCC(C)(NC(=O)c2cncc([O-])c2)CC1 ZINC000408274350 344423070 /nfs/dbraw/zinc/42/30/70/344423070.db2.gz KNIDVWGLOVXHDY-UHFFFAOYSA-N -1 1 248.326 2.486 20 0 BEADMM CCc1nc(C(=O)[N-]c2c(C)onc2CC)co1 ZINC000153787834 344976721 /nfs/dbraw/zinc/97/67/21/344976721.db2.gz KUASNWQOAVRWIC-UHFFFAOYSA-N -1 1 249.270 2.348 20 0 BEADMM CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000306292898 187296332 /nfs/dbraw/zinc/29/63/32/187296332.db2.gz SXSKIMXHDUJPIP-UHFFFAOYSA-N -1 1 244.088 2.422 20 0 BEADMM CSc1n[nH]c(NC(=O)CC(C)=C(C)C)n1 ZINC000635455157 345377685 /nfs/dbraw/zinc/37/76/85/345377685.db2.gz VDUWSBPRPJVEDJ-UHFFFAOYSA-N -1 1 240.332 2.212 20 0 BEADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000388053553 347165442 /nfs/dbraw/zinc/16/54/42/347165442.db2.gz ZDENRYGUBMRGMG-BDAKNGLRSA-N -1 1 237.274 2.307 20 0 BEADMM O=C(c1cc(Cl)ccc1[O-])N1CC(F)(F)C1 ZINC000679637216 488361157 /nfs/dbraw/zinc/36/11/57/488361157.db2.gz BDKUMZCVMKFMDE-UHFFFAOYSA-N -1 1 247.628 2.137 20 0 BEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccncc1 ZINC000109420549 179315438 /nfs/dbraw/zinc/31/54/38/179315438.db2.gz UONCGWYSHBRVBK-UHFFFAOYSA-N -1 1 248.307 2.191 20 0 BEADMM Cc1ccccc1S([O-])=CC(=O)c1ccc[nH]1 ZINC000108087358 179351918 /nfs/dbraw/zinc/35/19/18/179351918.db2.gz XWZXBKQCKXHDIJ-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1ccccc1[S@](=O)C=C([O-])c1ccc[nH]1 ZINC000108087358 179351922 /nfs/dbraw/zinc/35/19/22/179351922.db2.gz XWZXBKQCKXHDIJ-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])cn1)[C@H]1CC1(C)C ZINC001639417455 1172104462 /nfs/dbraw/zinc/10/44/62/1172104462.db2.gz WBTPJUKQYVMUAM-MNOVXSKESA-N -1 1 248.326 2.342 20 0 BEADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)[C@@H]1CC1(C)C ZINC001639417457 1172105348 /nfs/dbraw/zinc/10/53/48/1172105348.db2.gz WBTPJUKQYVMUAM-WDEREUQCSA-N -1 1 248.326 2.342 20 0 BEADMM CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001639447149 1172106687 /nfs/dbraw/zinc/10/66/87/1172106687.db2.gz DUWWUWSXGYEBRG-UHFFFAOYSA-N -1 1 201.172 2.019 20 0 BEADMM CC1CCC(NCc2ccco2)(C(=O)[O-])CC1 ZINC000041758875 350055170 /nfs/dbraw/zinc/05/51/70/350055170.db2.gz SBXFWSQLQLFSRI-UHFFFAOYSA-N -1 1 237.299 2.403 20 0 BEADMM Cc1nc(SCc2cccnc2)[n-]c(=O)c1C ZINC000013115367 180031229 /nfs/dbraw/zinc/03/12/29/180031229.db2.gz QKBIPZGUXAKWRE-UHFFFAOYSA-N -1 1 247.323 2.074 20 0 BEADMM Cc1nc(SCCC[C@H](C)O)[n-]c(=O)c1C ZINC000331076235 180031780 /nfs/dbraw/zinc/03/17/80/180031780.db2.gz VTCOLRJSIJVLNB-ZETCQYMHSA-N -1 1 242.344 2.052 20 0 BEADMM Cc1nc(SCc2ccccn2)[n-]c(=O)c1C ZINC000005155246 180030841 /nfs/dbraw/zinc/03/08/41/180030841.db2.gz MZAFLDKAYUOGKN-UHFFFAOYSA-N -1 1 247.323 2.074 20 0 BEADMM Cc1cccc(S([O-])=CC(=O)c2ccc[nH]2)c1 ZINC000108099747 191064320 /nfs/dbraw/zinc/06/43/20/191064320.db2.gz MUGRGDZYDZKKAL-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1cccc([S@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000108099747 191064322 /nfs/dbraw/zinc/06/43/22/191064322.db2.gz MUGRGDZYDZKKAL-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1cnc(C(=O)NC[C@H](C)C(C)C)c([O-])c1 ZINC000427476172 191077090 /nfs/dbraw/zinc/07/70/90/191077090.db2.gz LXSHJNVCPRQMRT-JTQLQIEISA-N -1 1 236.315 2.118 20 0 BEADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccncn1 ZINC000427653380 191085888 /nfs/dbraw/zinc/08/58/88/191085888.db2.gz YXTVSAVXDDXZMJ-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM CCCC1(CNC(=O)c2ncc(C)cc2[O-])CC1 ZINC000427771978 191091764 /nfs/dbraw/zinc/09/17/64/191091764.db2.gz BYJAKLVCGBCXDO-UHFFFAOYSA-N -1 1 248.326 2.406 20 0 BEADMM CN(Cc1ccsc1)C(=O)c1ncccc1[O-] ZINC000037760712 350289088 /nfs/dbraw/zinc/28/90/88/350289088.db2.gz OEUCBFQPXRKJGA-UHFFFAOYSA-N -1 1 248.307 2.121 20 0 BEADMM CC1(C)CC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000162786375 350427933 /nfs/dbraw/zinc/42/79/33/350427933.db2.gz QSDZPJRQPZIXHY-SNVBAGLBSA-N -1 1 234.299 2.096 20 0 BEADMM CCN(Cc1c(F)cccc1F)[C@@H](C)C(=O)[O-] ZINC000236911245 350743748 /nfs/dbraw/zinc/74/37/48/350743748.db2.gz JSDSJGZCOUBFBV-QMMMGPOBSA-N -1 1 243.253 2.260 20 0 BEADMM C[C@H]1CCN(Cc2ncccc2[O-])CC1(F)F ZINC000580978410 351159951 /nfs/dbraw/zinc/15/99/51/351159951.db2.gz AIHVNCHIAZSMIW-VIFPVBQESA-N -1 1 242.269 2.264 20 0 BEADMM CC[C@@H](OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272715381 351491587 /nfs/dbraw/zinc/49/15/87/351491587.db2.gz FXXJIDYOQZTMAO-SNVBAGLBSA-N -1 1 243.690 2.409 20 0 BEADMM C[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)F ZINC000307253866 351781416 /nfs/dbraw/zinc/78/14/16/351781416.db2.gz WGOYORJIWLWMAH-LURJTMIESA-N -1 1 211.227 2.490 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1cc[nH]c1 ZINC000334204005 352797815 /nfs/dbraw/zinc/79/78/15/352797815.db2.gz VFNRLCGHROTLDM-UHFFFAOYSA-N -1 1 220.203 2.112 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])C1CC=CC1 ZINC000188369998 188001242 /nfs/dbraw/zinc/00/12/42/188001242.db2.gz UNWCKXNORFPXCA-UHFFFAOYSA-N -1 1 238.674 2.345 20 0 BEADMM Cc1cnc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000336521916 188057301 /nfs/dbraw/zinc/05/73/01/188057301.db2.gz KQFBHBUILJIOBP-GXSJLCMTSA-N -1 1 248.326 2.356 20 0 BEADMM CC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000037760667 358477384 /nfs/dbraw/zinc/47/73/84/358477384.db2.gz DXWKDQOYYHDVMW-JTQLQIEISA-N -1 1 234.299 2.192 20 0 BEADMM CC(C)=CCCNC(=O)c1ncc(C)cc1[O-] ZINC000360214915 188242679 /nfs/dbraw/zinc/24/26/79/188242679.db2.gz HFQDBMDONPGQTG-UHFFFAOYSA-N -1 1 234.299 2.182 20 0 BEADMM COC1(C)CN(Cc2cccc([O-])c2Cl)C1 ZINC000334511594 353515633 /nfs/dbraw/zinc/51/56/33/353515633.db2.gz NBKHKLRAEQAULF-UHFFFAOYSA-N -1 1 241.718 2.266 20 0 BEADMM Cc1cnc(C(=O)N(C)CC(C)(C)C)c([O-])c1 ZINC000334642230 354398336 /nfs/dbraw/zinc/39/83/36/354398336.db2.gz KBPBUDSUTIQRKW-UHFFFAOYSA-N -1 1 236.315 2.214 20 0 BEADMM O=C(Nc1c([O-])cccc1F)c1cscn1 ZINC000608367052 355378902 /nfs/dbraw/zinc/37/89/02/355378902.db2.gz HDICQORWCUSKCT-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM O=C(c1ncccc1[O-])N1CC(C2CCCC2)C1 ZINC000335809673 355484502 /nfs/dbraw/zinc/48/45/02/355484502.db2.gz NMGGZDLKNDJXHP-UHFFFAOYSA-N -1 1 246.310 2.049 20 0 BEADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(F)ccc1[O-] ZINC000424973215 191889864 /nfs/dbraw/zinc/88/98/64/191889864.db2.gz XGFYBSASWPMUIA-CMPLNLGQSA-N -1 1 249.285 2.450 20 0 BEADMM Cc1cnc(C(=O)N2CCC[C@H](C)[C@H]2C)c([O-])c1 ZINC000336104467 134084464 /nfs/dbraw/zinc/08/44/64/134084464.db2.gz MKOVIWLEYHQCNH-WDEREUQCSA-N -1 1 248.326 2.356 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000336143102 134100981 /nfs/dbraw/zinc/10/09/81/134100981.db2.gz VWYJEPZXNOZWIL-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM C[C@H]1C[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000336158019 134106854 /nfs/dbraw/zinc/10/68/54/134106854.db2.gz SDJGBGKWSDTUKX-YUMQZZPRSA-N -1 1 223.247 2.154 20 0 BEADMM Cc1noc(C)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000639660402 356569728 /nfs/dbraw/zinc/56/97/28/356569728.db2.gz VLFPVVNKYHDGFO-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000324217206 356790119 /nfs/dbraw/zinc/79/01/19/356790119.db2.gz VTJXHIGAIIVQAG-GFCCVEGCSA-N -1 1 237.274 2.450 20 0 BEADMM CC(C)c1nc(=NCCC(C)(F)F)o[n-]1 ZINC000450559258 202195821 /nfs/dbraw/zinc/19/58/21/202195821.db2.gz RSSXHXJQRCSTJO-UHFFFAOYSA-N -1 1 219.235 2.072 20 0 BEADMM O=C(NCC1CCCCCC1)c1cncc([O-])c1 ZINC000389731477 357021061 /nfs/dbraw/zinc/02/10/61/357021061.db2.gz IXRBRMXZPQOGQY-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM CC(C)c1nc(=NCC2CC(F)(F)C2)o[n-]1 ZINC000390403394 357096776 /nfs/dbraw/zinc/09/67/76/357096776.db2.gz APFZCFPDCHRSAX-UHFFFAOYSA-N -1 1 231.246 2.072 20 0 BEADMM CC(C)[C@@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000393170332 357278410 /nfs/dbraw/zinc/27/84/10/357278410.db2.gz FAXFLXYWQONWRM-MRVPVSSYSA-N -1 1 242.344 2.318 20 0 BEADMM CCc1coc(NC(=O)c2ccccc2[O-])n1 ZINC000222003360 358146477 /nfs/dbraw/zinc/14/64/77/358146477.db2.gz DKCXDIFVHRMYKD-UHFFFAOYSA-N -1 1 232.239 2.195 20 0 BEADMM CC1(C)CCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001641326503 1172241421 /nfs/dbraw/zinc/24/14/21/1172241421.db2.gz XKAGKFGBZBSCTO-JTQLQIEISA-N -1 1 248.326 2.343 20 0 BEADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000070115701 359042225 /nfs/dbraw/zinc/04/22/25/359042225.db2.gz OXFCUZGWPDPVBP-MXWKQRLJSA-N -1 1 248.326 2.342 20 0 BEADMM Cc1ccncc1NC(=O)c1ccccc1[O-] ZINC000071414403 359079372 /nfs/dbraw/zinc/07/93/72/359079372.db2.gz DELJMUGEWXJAHQ-UHFFFAOYSA-N -1 1 228.251 2.348 20 0 BEADMM CCCC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000292085967 359325993 /nfs/dbraw/zinc/32/59/93/359325993.db2.gz XNOFEPFQWPZNTE-SNVBAGLBSA-N -1 1 236.315 2.438 20 0 BEADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000088302058 359947537 /nfs/dbraw/zinc/94/75/37/359947537.db2.gz TYKNFQLUYKOGOH-VHSXEESVSA-N -1 1 236.315 2.342 20 0 BEADMM C/C=C/C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001641686808 1172282266 /nfs/dbraw/zinc/28/22/66/1172282266.db2.gz QPGGYIRHQABDLE-NSCUHMNNSA-N -1 1 243.266 2.093 20 0 BEADMM CCC(F)(F)CNC(=O)c1c([O-])cccc1F ZINC000628841523 360697236 /nfs/dbraw/zinc/69/72/36/360697236.db2.gz QRQALTRKOGDKLZ-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM CCC[C@H](O)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960694 360773226 /nfs/dbraw/zinc/77/32/26/360773226.db2.gz RDJGSQAHBPQVIW-QMMMGPOBSA-N -1 1 241.262 2.021 20 0 BEADMM Cc1c([N-]c2nc(C(C)C)ns2)cnn1C ZINC000181213248 366796402 /nfs/dbraw/zinc/79/64/02/366796402.db2.gz ANJWEINPJVCNDK-UHFFFAOYSA-N -1 1 237.332 2.447 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)nc1 ZINC000181058390 366784032 /nfs/dbraw/zinc/78/40/32/366784032.db2.gz NZLDSOXBNVKDIA-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CCn1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000083653185 491162424 /nfs/dbraw/zinc/16/24/24/491162424.db2.gz ADHUEDZUWLWNSX-UHFFFAOYSA-N -1 1 235.316 2.376 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1CC(C)(C)C1 ZINC000615216889 364635969 /nfs/dbraw/zinc/63/59/69/364635969.db2.gz FLUWLFCYQSUYSM-UHFFFAOYSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000615220601 364638895 /nfs/dbraw/zinc/63/88/95/364638895.db2.gz GMUQNXKOICNPJJ-APPZFPTMSA-N -1 1 237.303 2.189 20 0 BEADMM CC[C@@H](C)CCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615223050 364642997 /nfs/dbraw/zinc/64/29/97/364642997.db2.gz XJFFCRJNNZZDPW-SSDOTTSWSA-N -1 1 225.292 2.189 20 0 BEADMM CC[C@@H](CC(=O)Nc1c(C)[n-][nH]c1=O)C(C)C ZINC000615225723 364645751 /nfs/dbraw/zinc/64/57/51/364645751.db2.gz FVGHHUHFZNJJIL-VIFPVBQESA-N -1 1 239.319 2.435 20 0 BEADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000268192435 364728914 /nfs/dbraw/zinc/72/89/14/364728914.db2.gz FCNPJLPQUGAHFP-SKDRFNHKSA-N -1 1 234.299 2.096 20 0 BEADMM Cc1cc(O)cc(NC(=O)c2ccc([O-])cn2)c1 ZINC001642158700 1172326961 /nfs/dbraw/zinc/32/69/61/1172326961.db2.gz XREMPXCWISXLPK-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM CSCC[C@@H](C)[N@@H+](C)Cc1ncccc1O ZINC000579763522 367002293 /nfs/dbraw/zinc/00/22/93/367002293.db2.gz BMHHRGDPNNBVHY-SNVBAGLBSA-N -1 1 240.372 2.361 20 0 BEADMM CC/C=C/CNC(=O)c1cc(F)ccc1[O-] ZINC000384948320 367762874 /nfs/dbraw/zinc/76/28/74/367762874.db2.gz FTUIEHBBELYYHN-ONEGZZNKSA-N -1 1 223.247 2.227 20 0 BEADMM C[C@H]1CCC[C@](NCc2ccco2)(C(=O)[O-])C1 ZINC000041758767 368289957 /nfs/dbraw/zinc/28/99/57/368289957.db2.gz QDGGFIYWLJJACG-GXFFZTMASA-N -1 1 237.299 2.403 20 0 BEADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000458116471 203135926 /nfs/dbraw/zinc/13/59/26/203135926.db2.gz QLBIGQLWAUVMKS-GXSJLCMTSA-N -1 1 237.274 2.306 20 0 BEADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1[O-] ZINC000458268864 203151827 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/nfs/dbraw/zinc/14/25/51/182142551.db2.gz ALBIINHVJGXXMI-UHFFFAOYSA-N -1 1 225.675 2.185 20 0 BEADMM CC(C)(F)CNC(=O)c1c([O-])cccc1F ZINC000633722251 373713317 /nfs/dbraw/zinc/71/33/17/373713317.db2.gz ROGQWAOQTOHZKY-UHFFFAOYSA-N -1 1 229.226 2.009 20 0 BEADMM O=C(NCCC1CCCCC1)c1ncccc1[O-] ZINC000037760801 182157675 /nfs/dbraw/zinc/15/76/75/182157675.db2.gz LLKRWRUSSIIIIZ-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM CCOC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000633688619 373688338 /nfs/dbraw/zinc/68/83/38/373688338.db2.gz VGJBLGYLMCKRIB-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])C1=COCCC1 ZINC000269029893 182356962 /nfs/dbraw/zinc/35/69/62/182356962.db2.gz LYFJQXABVPMEKC-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000082192943 182358953 /nfs/dbraw/zinc/35/89/53/182358953.db2.gz BUWBLIRSJCLBOD-SSDOTTSWSA-N -1 1 241.674 2.021 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCOC1 ZINC000082192946 182359994 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225.263 2.307 20 0 BEADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc2ccccc2n1 ZINC000054070196 384818031 /nfs/dbraw/zinc/81/80/31/384818031.db2.gz YFVNYMBHNJISGB-JTQLQIEISA-N -1 1 244.294 2.140 20 0 BEADMM CC[C@]1(C)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000336494253 384818931 /nfs/dbraw/zinc/81/89/31/384818931.db2.gz IDXHYPUWQCWTLE-CYBMUJFWSA-N -1 1 234.299 2.049 20 0 BEADMM O=C(Nc1ccccc1O)c1cc(F)ccc1[O-] ZINC000176987916 384844427 /nfs/dbraw/zinc/84/44/27/384844427.db2.gz AEKZGQIHQXAIPL-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM C[C@@H](F)CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000338753148 384945617 /nfs/dbraw/zinc/94/56/17/384945617.db2.gz HWBIRAXLWMKGQU-SCSAIBSYSA-N -1 1 243.229 2.139 20 0 BEADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ncccc1[O-] ZINC000336487455 384997887 /nfs/dbraw/zinc/99/78/87/384997887.db2.gz JTEHCCYGNMXIGF-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM CCC1(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000128508257 385044796 /nfs/dbraw/zinc/04/47/96/385044796.db2.gz FQWRRWBABRYPOF-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 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/nfs/dbraw/zinc/10/66/06/134106606.db2.gz BHKMXUFHKKNKPU-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CCC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC000176331894 134290697 /nfs/dbraw/zinc/29/06/97/134290697.db2.gz OPIMRHWDTRBRLN-UHFFFAOYSA-N -1 1 234.299 2.097 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000226204154 134361418 /nfs/dbraw/zinc/36/14/18/134361418.db2.gz OXFCUZGWPDPVBP-OUAUKWLOSA-N -1 1 248.326 2.342 20 0 BEADMM CCC[C@@H](CC)NC(=O)c1ncccc1[O-] ZINC000050406247 134659988 /nfs/dbraw/zinc/65/99/88/134659988.db2.gz IJRASNARJDZGBQ-SECBINFHSA-N -1 1 222.288 2.096 20 0 BEADMM CCCN(CC(=O)[O-])Cc1csc(C)c1 ZINC000261531962 135161483 /nfs/dbraw/zinc/16/14/83/135161483.db2.gz INHHDHHIPOTVNN-UHFFFAOYSA-N -1 1 227.329 2.353 20 0 BEADMM CC1(C)CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000079679828 135344066 /nfs/dbraw/zinc/34/40/66/135344066.db2.gz UCAKSCVLRCUYHF-UHFFFAOYSA-N -1 1 248.326 2.486 20 0 BEADMM O=C(N[C@H]1CC[C@H](F)C1)c1cc(F)ccc1[O-] ZINC000334376150 135376174 /nfs/dbraw/zinc/37/61/74/135376174.db2.gz VIDBQGYYMHVTIE-CBAPKCEASA-N -1 1 241.237 2.152 20 0 BEADMM O=C(N[C@H]1CC[C@@H](F)C1)c1cc(F)ccc1[O-] ZINC000334376149 135376535 /nfs/dbraw/zinc/37/65/35/135376535.db2.gz VIDBQGYYMHVTIE-APPZFPTMSA-N -1 1 241.237 2.152 20 0 BEADMM CO[C@@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000264303946 397919407 /nfs/dbraw/zinc/91/94/07/397919407.db2.gz SMYPNJABPJNIIQ-VIFPVBQESA-N -1 1 247.216 2.053 20 0 BEADMM CC(C)O[N-]C(=O)Cc1c(F)cccc1Cl ZINC000294174168 167277748 /nfs/dbraw/zinc/27/77/48/167277748.db2.gz RPMLZYRPSBPMKT-UHFFFAOYSA-N -1 1 245.681 2.478 20 0 BEADMM CC1(NC(=O)c2cc(F)ccc2[O-])CC=CC1 ZINC000655223512 409628604 /nfs/dbraw/zinc/62/86/04/409628604.db2.gz RDNFKDRLAANAHH-UHFFFAOYSA-N -1 1 235.258 2.370 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1C1CC1 ZINC000650698932 410329199 /nfs/dbraw/zinc/32/91/99/410329199.db2.gz JOGDLWUDSGHWGI-LLVKDONJSA-N -1 1 235.258 2.156 20 0 BEADMM CCc1c(C)[n-]n(Cc2ccccc2)c1=O ZINC000103316180 410889047 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/nfs/dbraw/zinc/03/99/18/168039918.db2.gz QLTHXRAPONYNBF-UHFFFAOYSA-N -1 1 234.299 2.097 20 0 BEADMM CC1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC000042488210 168158760 /nfs/dbraw/zinc/15/87/60/168158760.db2.gz ZUEGCJRKGTZKDJ-UHFFFAOYSA-N -1 1 248.326 2.438 20 0 BEADMM Cc1ccnc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000657261818 411434301 /nfs/dbraw/zinc/43/43/01/411434301.db2.gz BVQPWWNXIFFEKH-UHFFFAOYSA-N -1 1 247.323 2.486 20 0 BEADMM CCO[N-]C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000179698454 170466515 /nfs/dbraw/zinc/46/65/15/170466515.db2.gz UDBLLCDYTCQZDM-GFCCVEGCSA-N -1 1 237.299 2.257 20 0 BEADMM Cc1cccc([C@@H](C)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000660849678 411657584 /nfs/dbraw/zinc/65/75/84/411657584.db2.gz PREFIJTUSMMFKZ-SNVBAGLBSA-N -1 1 247.298 2.277 20 0 BEADMM CC[C@@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC000665061552 412076269 /nfs/dbraw/zinc/07/62/69/412076269.db2.gz RJKUXEVTGFTKAY-SECBINFHSA-N -1 1 244.294 2.469 20 0 BEADMM Cc1cccc(NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000662899226 412339548 /nfs/dbraw/zinc/33/95/48/412339548.db2.gz DKKLZWAQHAYZIA-NSHDSACASA-N -1 1 234.299 2.303 20 0 BEADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CC1(C)C ZINC000336433897 172337532 /nfs/dbraw/zinc/33/75/32/172337532.db2.gz UJNSEAMRIGWPIA-NSHDSACASA-N -1 1 237.274 2.402 20 0 BEADMM CN(C(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000111739874 172346584 /nfs/dbraw/zinc/34/65/84/172346584.db2.gz XUHRPNXWDSXKME-UHFFFAOYSA-N -1 1 246.241 2.203 20 0 BEADMM CN(C(=O)c1cncc([O-])c1)C(C1CC1)C1CC1 ZINC000264827183 172346980 /nfs/dbraw/zinc/34/69/80/172346980.db2.gz INIOPIIEHZSAKG-UHFFFAOYSA-N -1 1 246.310 2.048 20 0 BEADMM CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000095711508 172389641 /nfs/dbraw/zinc/38/96/41/172389641.db2.gz ZIPBMNVMHVDUJC-UHFFFAOYSA-N -1 1 233.189 2.113 20 0 BEADMM COc1ccc(-c2nc(C3CC3)no2)c([O-])c1 ZINC000109037179 175038621 /nfs/dbraw/zinc/03/86/21/175038621.db2.gz CBSQABAWYSMBCY-UHFFFAOYSA-N -1 1 232.239 2.328 20 0 BEADMM COc1ccc(C(=O)Nc2ccncc2)c([O-])c1 ZINC000019837698 175064071 /nfs/dbraw/zinc/06/40/71/175064071.db2.gz VLRQMXIANLRKIW-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM C[C@@H]([N-]C(=O)C(F)F)c1cccc(F)c1F ZINC000279970317 175825421 /nfs/dbraw/zinc/82/54/21/175825421.db2.gz UEAKZBHJNRWKOQ-RXMQYKEDSA-N -1 1 235.180 2.407 20 0 BEADMM C[C@@H](NCC(=O)[O-])c1cc2ccccc2o1 ZINC000036722684 175864430 /nfs/dbraw/zinc/86/44/30/175864430.db2.gz MHBJVNRXBAAIOO-MRVPVSSYSA-N -1 1 219.240 2.168 20 0 BEADMM C[C@@H](c1c(F)cccc1F)N(C)CC(=O)[O-] ZINC000082717664 176012396 /nfs/dbraw/zinc/01/23/96/176012396.db2.gz QUGZLIYQHJBDPL-ZETCQYMHSA-N -1 1 229.226 2.042 20 0 BEADMM C[C@@H](c1ccco1)N(C)C(=O)c1cncc([O-])c1 ZINC000111561671 176031233 /nfs/dbraw/zinc/03/12/33/176031233.db2.gz OTEXKSGRXLJXRQ-VIFPVBQESA-N -1 1 246.266 2.213 20 0 BEADMM C[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000186244754 176065776 /nfs/dbraw/zinc/06/57/76/176065776.db2.gz MRSNEUHUUWRQBR-SNVBAGLBSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000131932074 176161956 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177155425 /nfs/dbraw/zinc/15/54/25/177155425.db2.gz VRWCSBAAHSIIDH-WDEREUQCSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000051734491 177156519 /nfs/dbraw/zinc/15/65/19/177156519.db2.gz ZERSKYPXPQUHMD-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CC[C@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000336586541 177203543 /nfs/dbraw/zinc/20/35/43/177203543.db2.gz SAGZPFHRIGZVIE-ONGXEEELSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1C[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000280676725 177381392 /nfs/dbraw/zinc/38/13/92/177381392.db2.gz CBBSEORLBCKWEQ-BQBZGAKWSA-N -1 1 241.237 2.056 20 0 BEADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1cncc([O-])c1 ZINC000308727386 229245625 /nfs/dbraw/zinc/24/56/25/229245625.db2.gz NCOONTKVYSNMCF-HZMBPMFUSA-N -1 1 248.326 2.486 20 0 BEADMM CC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681014611 487694677 /nfs/dbraw/zinc/69/46/77/487694677.db2.gz HJDIRCZWFWBPIF-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 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487539752 /nfs/dbraw/zinc/53/97/52/487539752.db2.gz ALZKJQWIVXDVKV-UHFFFAOYSA-N -1 1 249.295 2.352 20 0 BEADMM Cc1[nH]ccc1C(=O)Nc1c([O-])cccc1F ZINC000674265621 487541833 /nfs/dbraw/zinc/54/18/33/487541833.db2.gz AFGSKZVFWAGZLP-UHFFFAOYSA-N -1 1 234.230 2.420 20 0 BEADMM Cc1oc(CN2CC=CCC2)cc1C(=O)[O-] ZINC000382531749 487545316 /nfs/dbraw/zinc/54/53/16/487545316.db2.gz LKBJFDWQYYDSSV-UHFFFAOYSA-N -1 1 221.256 2.048 20 0 BEADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccsc1 ZINC000061367928 487473851 /nfs/dbraw/zinc/47/38/51/487473851.db2.gz IPOWKFUOKNIXIV-MRVPVSSYSA-N -1 1 248.307 2.340 20 0 BEADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccsc1 ZINC000061367922 487474224 /nfs/dbraw/zinc/47/42/24/487474224.db2.gz IPOWKFUOKNIXIV-QMMMGPOBSA-N -1 1 248.307 2.340 20 0 BEADMM CC[C@@H](C)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC000393958086 487486508 /nfs/dbraw/zinc/48/65/08/487486508.db2.gz YXRZVFUEMVPAJT-MRVPVSSYSA-N -1 1 242.344 2.462 20 0 BEADMM CCN(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681016733 487696033 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/nfs/dbraw/zinc/76/71/49/585767149.db2.gz IAEBSNSMYHPQHC-ZETCQYMHSA-N -1 1 243.690 2.003 20 0 BEADMM CC(C)[C@H](F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047357 585956700 /nfs/dbraw/zinc/95/67/00/585956700.db2.gz KCBARXXGTBNTHD-QMMMGPOBSA-N -1 1 246.669 2.373 20 0 BEADMM C[C@H]1C[C@H]1COC(=O)c1ccc([O-])cc1F ZINC000859622195 589049975 /nfs/dbraw/zinc/04/99/75/589049975.db2.gz CDDCXXFWEUQUFE-YUMQZZPRSA-N -1 1 224.231 2.344 20 0 BEADMM CCc1cc(C)nc(=NOCCOC(C)C)[n-]1 ZINC000812488708 586578176 /nfs/dbraw/zinc/57/81/76/586578176.db2.gz KFZDERCGBPUKJG-UHFFFAOYSA-N -1 1 239.319 2.116 20 0 BEADMM O=C(NOC1CCC1)c1c([O-])cccc1Cl ZINC000812791823 586585082 /nfs/dbraw/zinc/58/50/82/586585082.db2.gz ZFIQVKAVAJUARW-UHFFFAOYSA-N -1 1 241.674 2.260 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812790963 586585296 /nfs/dbraw/zinc/58/52/96/586585296.db2.gz DDWKPHYIBBFMGE-SNVBAGLBSA-N -1 1 219.284 2.390 20 0 BEADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)C(C)(C)C ZINC000816741127 586761624 /nfs/dbraw/zinc/76/16/24/586761624.db2.gz YTTHHIQKEMJEMW-SREVYHEPSA-N -1 1 237.303 2.355 20 0 BEADMM CN(CCC(=O)[O-])Cc1cscc1Cl ZINC000820585826 587056160 /nfs/dbraw/zinc/05/61/60/587056160.db2.gz AVOJCSDQMCUFSK-UHFFFAOYSA-N -1 1 233.720 2.308 20 0 BEADMM COc1cnc(C=Cc2cccc(O)c2)[n-]c1=O ZINC000821008998 587087772 /nfs/dbraw/zinc/08/77/72/587087772.db2.gz VREHWMJHUJKGAR-AATRIKPKSA-N -1 1 244.250 2.067 20 0 BEADMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000821510310 587123618 /nfs/dbraw/zinc/12/36/18/587123618.db2.gz AISKHCJFPIGTDL-SSDOTTSWSA-N -1 1 245.731 2.308 20 0 BEADMM O=C([O-])[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000821510310 587123619 /nfs/dbraw/zinc/12/36/19/587123619.db2.gz AISKHCJFPIGTDL-SSDOTTSWSA-N -1 1 245.731 2.308 20 0 BEADMM CC1(C(=O)[N-]OC/C=C/Cl)CC(F)(F)C1 ZINC000823045744 587199779 /nfs/dbraw/zinc/19/97/79/587199779.db2.gz BRQJSKCMVBBBBJ-NSCUHMNNSA-N -1 1 239.649 2.222 20 0 BEADMM CC[C@H](C)CSc1cccc(-c2nnn[n-]2)n1 ZINC000825068514 587302151 /nfs/dbraw/zinc/30/21/51/587302151.db2.gz SNHADWKLIQZVKG-QMMMGPOBSA-N -1 1 249.343 2.400 20 0 BEADMM CC[C@H](C)CSc1cccc(-c2nn[n-]n2)n1 ZINC000825068514 587302153 /nfs/dbraw/zinc/30/21/53/587302153.db2.gz SNHADWKLIQZVKG-QMMMGPOBSA-N -1 1 249.343 2.400 20 0 BEADMM Cc1cccc(CO[N-]C(=O)C2(C)CC=CC2)n1 ZINC000825573124 587325522 /nfs/dbraw/zinc/32/55/22/587325522.db2.gz NAXQEJDBHUQQFN-UHFFFAOYSA-N -1 1 246.310 2.294 20 0 BEADMM CC(C)CCCC(=O)[N-]OCC(F)(F)F ZINC000827036076 587368542 /nfs/dbraw/zinc/36/85/42/587368542.db2.gz WMWWZDLWWNPEJY-UHFFFAOYSA-N -1 1 227.226 2.423 20 0 BEADMM Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000830471051 587553017 /nfs/dbraw/zinc/55/30/17/587553017.db2.gz DHSFKMPOSLEPMO-WCQYABFASA-N -1 1 248.326 2.398 20 0 BEADMM Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)[O-] ZINC000830552881 587557612 /nfs/dbraw/zinc/55/76/12/587557612.db2.gz CNQJGBYUWNFZQM-LLVKDONJSA-N -1 1 236.315 2.255 20 0 BEADMM Cc1ccnc(NC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830611588 587559984 /nfs/dbraw/zinc/55/99/84/587559984.db2.gz MRNOPZBZZNTJJK-LLVKDONJSA-N -1 1 249.314 2.192 20 0 BEADMM CCON(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000831491897 587613987 /nfs/dbraw/zinc/61/39/87/587613987.db2.gz VJPYAPHQBOESMB-UHFFFAOYSA-N -1 1 243.690 2.459 20 0 BEADMM O=C([O-])N1CCN(CCCC2CCCC2)CC1 ZINC000833279644 587703788 /nfs/dbraw/zinc/70/37/88/587703788.db2.gz IZTQFVDMXOUWKZ-UHFFFAOYSA-N -1 1 240.347 2.252 20 0 BEADMM C/C(=C\CN1CCc2c(F)cccc2C1)C(=O)[O-] ZINC000833385164 587712711 /nfs/dbraw/zinc/71/27/11/587712711.db2.gz SYWXNJROCYFBHA-BJMVGYQFSA-N -1 1 249.285 2.215 20 0 BEADMM O=C([O-])Nc1ccc(CN2C[C@H]3CCC[C@@H]32)cn1 ZINC000834258639 587750251 /nfs/dbraw/zinc/75/02/51/587750251.db2.gz ISJWPWYODSPDKO-MNOVXSKESA-N -1 1 247.298 2.156 20 0 BEADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824925 587768050 /nfs/dbraw/zinc/76/80/50/587768050.db2.gz CBNYDBAPRUSJIE-CBAPKCEASA-N -1 1 239.702 2.318 20 0 BEADMM CC(C)O[N-]C(=O)[C@H](C)COc1ccccc1 ZINC000836798023 587836990 /nfs/dbraw/zinc/83/69/90/587836990.db2.gz GBWFWQPBXHGEPE-LLVKDONJSA-N -1 1 237.299 2.158 20 0 BEADMM CC(C)O[N-]C(=O)[C@@H](C)COc1ccccc1 ZINC000836798024 587837161 /nfs/dbraw/zinc/83/71/61/587837161.db2.gz GBWFWQPBXHGEPE-NSHDSACASA-N -1 1 237.299 2.158 20 0 BEADMM CO[C@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000837087146 587852548 /nfs/dbraw/zinc/85/25/48/587852548.db2.gz DXHJSIDGVRXYDX-ZCFIWIBFSA-N -1 1 245.225 2.034 20 0 BEADMM Cc1nc(CO[N-]C(=O)CC(C)(C)C)oc1C ZINC000842063715 587994761 /nfs/dbraw/zinc/99/47/61/587994761.db2.gz QSJKPWGEVACBOZ-UHFFFAOYSA-N -1 1 240.303 2.275 20 0 BEADMM CC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1CCCCO1 ZINC000848350587 588372878 /nfs/dbraw/zinc/37/28/78/588372878.db2.gz RCRRMDUMSCIMLM-SFYZADRCSA-N -1 1 239.237 2.013 20 0 BEADMM Cc1cnc(S[C@H]2CCSC2)[n-]c1=O ZINC000849903641 588508924 /nfs/dbraw/zinc/50/89/24/588508924.db2.gz ZOTDVCCAYHXIHE-ZETCQYMHSA-N -1 1 228.342 2.088 20 0 BEADMM Cc1cnc(S[C@@H]2CCSC2)[n-]c1=O ZINC000849903640 588508947 /nfs/dbraw/zinc/50/89/47/588508947.db2.gz ZOTDVCCAYHXIHE-SSDOTTSWSA-N -1 1 228.342 2.088 20 0 BEADMM Cc1cnc(SCOC2CCC2)[n-]c1=O ZINC000849902599 588509084 /nfs/dbraw/zinc/50/90/84/588509084.db2.gz ASRYPYPHCHHTQM-UHFFFAOYSA-N -1 1 226.301 2.109 20 0 BEADMM C[C@H](CC(=O)[N-]OCC(F)F)c1ccco1 ZINC000860812119 589121833 /nfs/dbraw/zinc/12/18/33/589121833.db2.gz QBDIATAUTNBPHS-SSDOTTSWSA-N -1 1 233.214 2.086 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@@H]1C(F)F ZINC000863008346 589251814 /nfs/dbraw/zinc/25/18/14/589251814.db2.gz OBNDAHRBRUVQFA-WDSKDSINSA-N -1 1 245.200 2.371 20 0 BEADMM CCCONC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869086894 589586584 /nfs/dbraw/zinc/58/65/84/589586584.db2.gz XWFMUPTZQSLXPX-UHFFFAOYSA-N -1 1 243.690 2.046 20 0 BEADMM CCc1c(C(C)C)[n-]n(C2CCC2)c1=O ZINC000871943128 589834389 /nfs/dbraw/zinc/83/43/89/589834389.db2.gz ZLGOKYBXAGDTHT-SNVBAGLBSA-N -1 1 208.305 2.419 20 0 BEADMM CCc1[n-]n(CC2CCCC2)c(=O)c1F ZINC000871944291 589837894 /nfs/dbraw/zinc/83/78/94/589837894.db2.gz JSCPOSHORBSMGD-JTQLQIEISA-N -1 1 212.268 2.123 20 0 BEADMM CSc1ccc(-n2[n-]c(C)c(F)c2=O)cc1 ZINC000871948111 589838744 /nfs/dbraw/zinc/83/87/44/589838744.db2.gz RPOHRMDXAXZGDX-JTQLQIEISA-N -1 1 238.287 2.469 20 0 BEADMM CCc1ccc(-n2[n-]c(C)c(F)c2=O)cc1 ZINC000871948024 589838786 /nfs/dbraw/zinc/83/87/86/589838786.db2.gz OTPWLOKNZNLJHV-LLVKDONJSA-N -1 1 220.247 2.310 20 0 BEADMM Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1F ZINC000871948408 589839721 /nfs/dbraw/zinc/83/97/21/589839721.db2.gz NQUXZLHQBXVZTD-JTQLQIEISA-N -1 1 224.210 2.195 20 0 BEADMM CCc1[n-]n(Cc2cccc(C)c2)c(=O)c1F ZINC000871951351 589840542 /nfs/dbraw/zinc/84/05/42/589840542.db2.gz MOUUONBHGARRSY-LBPRGKRZSA-N -1 1 234.274 2.441 20 0 BEADMM CCc1cc(=O)n(-c2ccnc(Cl)c2)[n-]1 ZINC000871953203 589841219 /nfs/dbraw/zinc/84/12/19/589841219.db2.gz GDEGTCVXZVOEOT-UHFFFAOYSA-N -1 1 223.663 2.238 20 0 BEADMM CCc1c(C)[n-]n(-c2ccnc(Cl)c2)c1=O ZINC000871953339 589841233 /nfs/dbraw/zinc/84/12/33/589841233.db2.gz LSMSIUSEPNXNCL-SECBINFHSA-N -1 1 237.690 2.484 20 0 BEADMM C[C@@H]1CCc2[n-]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953426 589841687 /nfs/dbraw/zinc/84/16/87/589841687.db2.gz PLSBCKPZEBINFC-RDDDGLTNSA-N -1 1 249.701 2.484 20 0 BEADMM CC1(C)CCc2c([n-]n(CC(F)F)c2=O)C1 ZINC000871958217 589844133 /nfs/dbraw/zinc/84/41/33/589844133.db2.gz ALUGWBAUIDYDRV-SSDOTTSWSA-N -1 1 230.258 2.276 20 0 BEADMM CCc1[n-]n(CC(CC)CC)c(=O)c1F ZINC000871958661 589844680 /nfs/dbraw/zinc/84/46/80/589844680.db2.gz ZINVOLTXVWGIPR-JTQLQIEISA-N -1 1 214.284 2.369 20 0 BEADMM CCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1F ZINC000871962815 589847447 /nfs/dbraw/zinc/84/74/47/589847447.db2.gz HHHYHXPBYCDAFE-CBAPKCEASA-N -1 1 248.248 2.368 20 0 BEADMM O=c1nc(N[C@H]2CC23CCC3)cc(Cl)[n-]1 ZINC000872774637 589967858 /nfs/dbraw/zinc/96/78/58/589967858.db2.gz FKEJKIFVMLEXAN-LURJTMIESA-N -1 1 225.679 2.190 20 0 BEADMM CC(C)=C(C)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000874261857 590100643 /nfs/dbraw/zinc/10/06/43/590100643.db2.gz AHXZDDBYRLNVQG-GFCCVEGCSA-N -1 1 227.304 2.307 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cc3cccnc3o2)S1 ZINC000874929155 590156114 /nfs/dbraw/zinc/15/61/14/590156114.db2.gz VKPZHPSMDPERQU-YVMONPNESA-N -1 1 246.247 2.152 20 0 BEADMM Cc1nocc1[N-]C(=O)c1ncoc1C(C)C ZINC000880449402 591047070 /nfs/dbraw/zinc/04/70/70/591047070.db2.gz ZCUVVLJILLLRKT-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM CCC[C@H](C)CCNC(=O)c1cncc([O-])c1 ZINC000881528974 591230179 /nfs/dbraw/zinc/23/01/79/591230179.db2.gz CWIKAJPNIQNUKL-JTQLQIEISA-N -1 1 236.315 2.343 20 0 BEADMM CCc1nccc(=NOC[C@H](C)CC)[n-]1 ZINC000884513343 591962424 /nfs/dbraw/zinc/96/24/24/591962424.db2.gz GTVKHPVYSBQQGK-SECBINFHSA-N -1 1 209.293 2.429 20 0 BEADMM Cc1ccncc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000135553010 592017178 /nfs/dbraw/zinc/01/71/78/592017178.db2.gz ABLQLYKRQITNKX-LBPRGKRZSA-N -1 1 248.326 2.077 20 0 BEADMM CCc1c(C)[n-]n(C2CCSCC2)c1=O ZINC000887292687 592476881 /nfs/dbraw/zinc/47/68/81/592476881.db2.gz AODHJLZRSFEWEJ-JTQLQIEISA-N -1 1 226.345 2.126 20 0 BEADMM O=C(c1ncccc1[O-])N1CC[C@H]1C1CCCC1 ZINC000889405035 592608892 /nfs/dbraw/zinc/60/88/92/592608892.db2.gz HRLHAMUBVVQDHN-NSHDSACASA-N -1 1 246.310 2.192 20 0 BEADMM CCc1cc(C(=O)[N-]c2c(C)onc2CC)no1 ZINC000889704869 592649957 /nfs/dbraw/zinc/64/99/57/592649957.db2.gz GDGKLGCECDCYHB-UHFFFAOYSA-N -1 1 249.270 2.348 20 0 BEADMM O=C([O-])CCCCSc1n[nH]c(C2CC2)n1 ZINC000713449967 597751523 /nfs/dbraw/zinc/75/15/23/597751523.db2.gz WTYKWJVPTICUSM-UHFFFAOYSA-N -1 1 241.316 2.029 20 0 BEADMM O=C([O-])CCCCSc1nnc(C2CC2)[nH]1 ZINC000713449967 597751526 /nfs/dbraw/zinc/75/15/26/597751526.db2.gz WTYKWJVPTICUSM-UHFFFAOYSA-N -1 1 241.316 2.029 20 0 BEADMM CC[C@H](C)[C@H](NCc1occc1C)C(=O)[O-] ZINC000309319826 598214720 /nfs/dbraw/zinc/21/47/20/598214720.db2.gz DWFHZYZRJQPKLK-KWQFWETISA-N -1 1 225.288 2.177 20 0 BEADMM Cc1ccc([C@H]2C[C@H](C)CCN2CC(=O)[O-])o1 ZINC000818885378 600857414 /nfs/dbraw/zinc/85/74/14/600857414.db2.gz SBKKEYLYUFYBMS-MWLCHTKSSA-N -1 1 237.299 2.446 20 0 BEADMM C[C@@H]1CCN(CC(=O)[O-])[C@H](c2ccco2)C1 ZINC000309751819 600861952 /nfs/dbraw/zinc/86/19/52/600861952.db2.gz KRVXPBAFNKBUGT-ZJUUUORDSA-N -1 1 223.272 2.137 20 0 BEADMM C/C(=C\CN(C)Cc1ccccc1F)C(=O)[O-] ZINC000214654649 601051758 /nfs/dbraw/zinc/05/17/58/601051758.db2.gz ZWYDOYSJYFRNMP-JXMROGBWSA-N -1 1 237.274 2.288 20 0 BEADMM CN(Cc1ccncc1Cl)C(C)(C)C(=O)[O-] ZINC000084085769 601114207 /nfs/dbraw/zinc/11/42/07/601114207.db2.gz UFNGATVEFIHESG-UHFFFAOYSA-N -1 1 242.706 2.030 20 0 BEADMM C/C(=C\CN(C)[C@@H](C)c1ccco1)C(=O)[O-] ZINC000706341829 601159502 /nfs/dbraw/zinc/15/95/02/601159502.db2.gz MFODKOVVYCHVIG-ZKXNXJMVSA-N -1 1 223.272 2.303 20 0 BEADMM C/C(=C/CN(C)[C@@H](C)c1ccco1)C(=O)[O-] ZINC000706341827 601159494 /nfs/dbraw/zinc/15/94/94/601159494.db2.gz MFODKOVVYCHVIG-MBACFSSFSA-N -1 1 223.272 2.303 20 0 BEADMM CCN(C/C=C(\C)C(=O)[O-])Cc1ccoc1 ZINC000688585086 601161759 /nfs/dbraw/zinc/16/17/59/601161759.db2.gz CDJJKQWHZWKUNC-ONNFQVAWSA-N -1 1 223.272 2.132 20 0 BEADMM C[C@@H](NCCNC(=O)[O-])c1ccccc1Cl ZINC000739032643 602045481 /nfs/dbraw/zinc/04/54/81/602045481.db2.gz DHSCLSBAZRDMDM-MRVPVSSYSA-N -1 1 242.706 2.258 20 0 BEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C/C=C/Cl ZINC000739014122 602275608 /nfs/dbraw/zinc/27/56/08/602275608.db2.gz ZMVFGUMLIMAQIZ-ROSDIQCESA-N -1 1 246.738 2.250 20 0 BEADMM C[C@H](NC(=O)[O-])C1CCN(C/C=C\Cl)CC1 ZINC000739028923 602463562 /nfs/dbraw/zinc/46/35/62/602463562.db2.gz SNDTXYPPTWACCQ-ANTNXHBISA-N -1 1 246.738 2.107 20 0 BEADMM CC(C)=CCN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738759722 602833874 /nfs/dbraw/zinc/83/38/74/602833874.db2.gz KYNCQANRLCXAOF-QWRGUYRKSA-N -1 1 226.320 2.025 20 0 BEADMM Cc1ccc(CN2CCN(C(=O)[O-])[C@H](C)C2)cc1 ZINC000740126017 603357539 /nfs/dbraw/zinc/35/75/39/603357539.db2.gz HGBFULQCSHRKDH-GFCCVEGCSA-N -1 1 248.326 2.179 20 0 BEADMM O=c1[n-]c(-c2ccccn2)nc2ccc(O)cc21 ZINC000436925253 635508673 /nfs/dbraw/zinc/50/86/73/635508673.db2.gz IFAVXBXHGLGLKK-UHFFFAOYSA-N -1 1 239.234 2.103 20 0 BEADMM Cc1[n-]n(-c2cc(C)nc(C)n2)c(=O)c1C(C)C ZINC000122444324 633754738 /nfs/dbraw/zinc/75/47/38/633754738.db2.gz UJPKRPIYVUMZMT-GFCCVEGCSA-N -1 1 246.314 2.088 20 0 BEADMM CC1(C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC000194575715 634324124 /nfs/dbraw/zinc/32/41/24/634324124.db2.gz CYEZEPGGZXSUPV-UHFFFAOYSA-N -1 1 226.663 2.179 20 0 BEADMM CCSCCSc1nc(CC)cc(=O)[n-]1 ZINC000195066171 634348734 /nfs/dbraw/zinc/34/87/34/634348734.db2.gz MWMPJRPOLGELPY-UHFFFAOYSA-N -1 1 244.385 2.178 20 0 BEADMM CC(C)(/C=C/Cl)NC(=O)c1ncccc1[O-] ZINC000928929271 636526095 /nfs/dbraw/zinc/52/60/95/636526095.db2.gz KQTRGLQPDRLIGL-AATRIKPKSA-N -1 1 240.690 2.048 20 0 BEADMM CCCCN(Cc1cc(C(=O)[O-])no1)C1CC1 ZINC000042490676 637273228 /nfs/dbraw/zinc/27/32/28/637273228.db2.gz WQKJYWRHZQTVJF-UHFFFAOYSA-N -1 1 238.287 2.137 20 0 BEADMM Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000904579580 637437611 /nfs/dbraw/zinc/43/76/11/637437611.db2.gz QCDGCAOWKRVERO-UHFFFAOYSA-N -1 1 224.647 2.328 20 0 BEADMM CCC(F)(F)C(=O)[N-]N1[C@H](C)CCC[C@H]1C 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CC(C)(NC(=O)c1ccc([O-])cn1)C1CCC1 ZINC001637075652 1171899156 /nfs/dbraw/zinc/89/91/56/1171899156.db2.gz WMTHTEPZIJLXPM-UHFFFAOYSA-N -1 1 234.299 2.096 20 0 BEADMM CCC(CC)(NCc1ccc(C)o1)C(=O)[O-] ZINC000053043293 168330727 /nfs/dbraw/zinc/33/07/27/168330727.db2.gz DYPNVZUDVHJQLY-UHFFFAOYSA-N -1 1 225.288 2.321 20 0 BEADMM CC(F)(F)CCNC(=O)c1ccc([O-])c(F)c1 ZINC000650439469 398246095 /nfs/dbraw/zinc/24/60/95/398246095.db2.gz JWKPFAANQGQUMG-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM O=C(NCCC1CC1)c1c(F)ccc([O-])c1F ZINC000289589096 538945534 /nfs/dbraw/zinc/94/55/34/538945534.db2.gz KIMXGRRAQFGRMM-UHFFFAOYSA-N -1 1 241.237 2.200 20 0 BEADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000390785613 539027442 /nfs/dbraw/zinc/02/74/42/539027442.db2.gz WIDSZECYQFJURE-UHFFFAOYSA-N -1 1 223.247 2.013 20 0 BEADMM CC[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CC1(C)C ZINC001638321566 1172013820 /nfs/dbraw/zinc/01/38/20/1172013820.db2.gz VRITVNNGAJIOTE-UWVGGRQHSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(Nc1c([O-])cccc1F)c1ccncc1 ZINC000605439137 344011000 /nfs/dbraw/zinc/01/10/00/344011000.db2.gz VDHITYNSCRQOCI-UHFFFAOYSA-N -1 1 232.214 2.179 20 0 BEADMM COc1cccc(-n2[n-]c(C)c(C3CC3)c2=O)c1 ZINC000634585466 342928792 /nfs/dbraw/zinc/92/87/92/342928792.db2.gz HVHXGRXOKYPJCR-CYBMUJFWSA-N -1 1 244.294 2.444 20 0 BEADMM CCCn1[n-]c(-c2ccc(OC)cc2)c(C)c1=O ZINC000634592911 342946766 /nfs/dbraw/zinc/94/67/66/342946766.db2.gz YRQRBXMYBAZSEG-JTQLQIEISA-N -1 1 246.310 2.288 20 0 BEADMM CCc1c(C(C)C)[n-]n(-c2ccncc2)c1=O ZINC000634591430 342942090 /nfs/dbraw/zinc/94/20/90/342942090.db2.gz CMJGLUXTWZJMGS-LLVKDONJSA-N -1 1 231.299 2.466 20 0 BEADMM Cc1[n-]n(CCc2ccccc2)c(=O)c1C ZINC000634593252 342950788 /nfs/dbraw/zinc/95/07/88/342950788.db2.gz JQSJJLWSVPSAMC-SNVBAGLBSA-N -1 1 216.284 2.083 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)cn3)c(=O)c21 ZINC000634593365 342950890 /nfs/dbraw/zinc/95/08/90/342950890.db2.gz MMTXVOPADWZEAS-WRWORJQWSA-N -1 1 249.701 2.484 20 0 BEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc[nH]c1 ZINC001638360694 1172016796 /nfs/dbraw/zinc/01/67/96/1172016796.db2.gz DCSBAXBDMZWTRB-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM CCc1[n-]n(-c2ccc(C)nn2)c(=O)c1C(C)C ZINC000634600239 342992538 /nfs/dbraw/zinc/99/25/38/342992538.db2.gz AOJKXAMMVMIPSZ-LBPRGKRZSA-N -1 1 246.314 2.170 20 0 BEADMM CCCc1[n-]n(C[C@H]2CCCO2)c(=O)c1CC ZINC000634598973 342982672 /nfs/dbraw/zinc/98/26/72/342982672.db2.gz XIHZFTHUHFPITG-GHMZBOCLSA-N -1 1 238.331 2.190 20 0 BEADMM Cc1[n-]n(-c2ccncc2C)c(=O)c1C1CC1 ZINC000634606160 343001038 /nfs/dbraw/zinc/00/10/38/343001038.db2.gz ITHVDBFFPNDNLM-LBPRGKRZSA-N -1 1 229.283 2.139 20 0 BEADMM CCCc1[n-]n([C@@H](C)COC)c(=O)c1CC ZINC000634610782 343006908 /nfs/dbraw/zinc/00/69/08/343006908.db2.gz GJISMUYQEYVONR-VHSXEESVSA-N -1 1 226.320 2.046 20 0 BEADMM COc1ccc(CCn2[n-]c(C)c(C)c2=O)cc1 ZINC000634612987 343010198 /nfs/dbraw/zinc/01/01/98/343010198.db2.gz MHXONVMINBGKOZ-JTQLQIEISA-N -1 1 246.310 2.092 20 0 BEADMM Cc1c(-c2ccccc2)[n-]n(C2CC2)c1=O ZINC000634618075 343016130 /nfs/dbraw/zinc/01/61/30/343016130.db2.gz GBFRBQNAZRVRBJ-SECBINFHSA-N -1 1 214.268 2.031 20 0 BEADMM CCc1c(C)[n-]n(-c2ccnc(C)c2)c1=O ZINC000634619251 343018607 /nfs/dbraw/zinc/01/86/07/343018607.db2.gz TVPJHYHHDPQAEK-LLVKDONJSA-N -1 1 217.272 2.139 20 0 BEADMM CC(C)OCCn1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634620274 343018756 /nfs/dbraw/zinc/01/87/56/343018756.db2.gz YMUQARGKJMKLAP-MNOVXSKESA-N -1 1 238.331 2.046 20 0 BEADMM CCC(CC)Cn1[n-]c2c(c1=O)CCC2 ZINC000634621799 343020491 /nfs/dbraw/zinc/02/04/91/343020491.db2.gz PUSPFFGYJBDXKU-JTQLQIEISA-N -1 1 208.305 2.421 20 0 BEADMM CCc1c(C(C)C)[n-]n([C@@H]2CCCOC2)c1=O ZINC000634622533 343022811 /nfs/dbraw/zinc/02/28/11/343022811.db2.gz HRZSFQTVHMTHRB-GHMZBOCLSA-N -1 1 238.331 2.046 20 0 BEADMM CCCc1[n-]n([C@H]2CCCOC2)c(=O)c1CC ZINC000634622966 343023724 /nfs/dbraw/zinc/02/37/24/343023724.db2.gz UDNDIXSHCGHMND-WDEREUQCSA-N -1 1 238.331 2.190 20 0 BEADMM CCc1c(C(C)C)[n-]n(C23CC(C2)C3)c1=O ZINC000634625076 343025254 /nfs/dbraw/zinc/02/52/54/343025254.db2.gz XPEOUHRXFGTRJY-QUNCOHTASA-N -1 1 220.316 2.419 20 0 BEADMM C[C@@H]1CCc2[n-]n(C34CC(C3)C4)c(=O)c2C1 ZINC000634625015 343026802 /nfs/dbraw/zinc/02/68/02/343026802.db2.gz WNGRMIOPBAEMJF-PSHCNPEKSA-N -1 1 218.300 2.173 20 0 BEADMM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)CCC2 ZINC000634626900 343036592 /nfs/dbraw/zinc/03/65/92/343036592.db2.gz PJQQHFZKVMZDSW-GXSJLCMTSA-N -1 1 229.283 2.141 20 0 BEADMM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C ZINC000634630482 343039219 /nfs/dbraw/zinc/03/92/19/343039219.db2.gz XAIQOYZGGZTCEF-SECBINFHSA-N -1 1 208.305 2.421 20 0 BEADMM CCc1cnc(NC(=O)c2cncc([O-])c2)s1 ZINC000174602072 529663708 /nfs/dbraw/zinc/66/37/08/529663708.db2.gz UAOJUXXOZSVTMN-UHFFFAOYSA-N -1 1 249.295 2.058 20 0 BEADMM CN(CCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000165967579 343212758 /nfs/dbraw/zinc/21/27/58/343212758.db2.gz HUUBASNNNOLLSG-UHFFFAOYSA-N -1 1 245.681 2.386 20 0 BEADMM CCN(C)C(=O)c1cc(Cl)ccc1[O-] 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/nfs/dbraw/zinc/61/46/16/133614616.db2.gz QPZRPQSCZCRAOA-UHFFFAOYSA-N -1 1 243.253 2.398 20 0 BEADMM [O-]c1cccnc1CN1CCCC[C@@H]1C(F)F ZINC000580127248 346544440 /nfs/dbraw/zinc/54/44/40/346544440.db2.gz DAYIAFTXAHRQMA-SNVBAGLBSA-N -1 1 242.269 2.407 20 0 BEADMM CCc1cc(=O)[n-]c(SC2CCCC2)n1 ZINC000188095837 346752376 /nfs/dbraw/zinc/75/23/76/346752376.db2.gz YYZVKGOSFSNJRX-UHFFFAOYSA-N -1 1 224.329 2.367 20 0 BEADMM Cc1ccccc1S([O-])=CC(=O)c1ccc[nH]1 ZINC000108087355 179352901 /nfs/dbraw/zinc/35/29/01/179352901.db2.gz XWZXBKQCKXHDIJ-QGZVFWFLSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1ccccc1[S@@](=O)C=C([O-])c1ccc[nH]1 ZINC000108087355 179352902 /nfs/dbraw/zinc/35/29/02/179352902.db2.gz XWZXBKQCKXHDIJ-QGZVFWFLSA-N -1 1 247.319 2.314 20 0 BEADMM C[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000251816696 362928630 /nfs/dbraw/zinc/92/86/30/362928630.db2.gz MQUILWPGXIAGBW-GJMOJQLCSA-N -1 1 223.238 2.490 20 0 BEADMM CSc1ccc(C(=O)[N-]c2cnoc2)o1 ZINC000601973043 349409313 /nfs/dbraw/zinc/40/93/13/349409313.db2.gz UKKQODGDGNYOJO-UHFFFAOYSA-N -1 1 224.241 2.242 20 0 BEADMM O=C([N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000403208289 350106200 /nfs/dbraw/zinc/10/62/00/350106200.db2.gz CWQXAWJEVSNVIV-PRJMDXOYSA-N -1 1 221.222 2.101 20 0 BEADMM CC(C)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000088845524 191019465 /nfs/dbraw/zinc/01/94/65/191019465.db2.gz RTYXAPAUBSZLHB-SNVBAGLBSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1cnc(C(=O)N[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC000426996067 191052144 /nfs/dbraw/zinc/05/21/44/191052144.db2.gz WXRNHPIMLOZBCN-HOMQSWHASA-N -1 1 248.326 2.404 20 0 BEADMM CC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC000427099879 191052275 /nfs/dbraw/zinc/05/22/75/191052275.db2.gz JSGVEOKGXQDALI-JTQLQIEISA-N -1 1 236.315 2.342 20 0 BEADMM CC[C@H](C)C(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000309321863 350308775 /nfs/dbraw/zinc/30/87/75/350308775.db2.gz HBPKKUFUTPYSHQ-ZETCQYMHSA-N -1 1 240.328 2.198 20 0 BEADMM O=C(N[C@@]12C[C@@H]1CCC2)c1cc(F)ccc1[O-] ZINC000617211033 350380719 /nfs/dbraw/zinc/38/07/19/350380719.db2.gz HUBLECQSFCTUTF-SDBXPKJASA-N -1 1 235.258 2.204 20 0 BEADMM O=C([N-]CC1=CCCCC1)C(F)(F)F ZINC000307044224 351445334 /nfs/dbraw/zinc/44/53/34/351445334.db2.gz NRRWJCJAPSGMTB-UHFFFAOYSA-N -1 1 207.195 2.165 20 0 BEADMM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C[C@@H](C)C1 ZINC000252128059 363130309 /nfs/dbraw/zinc/13/03/09/363130309.db2.gz LQTJEQQJUZWXCA-JIGDXULJSA-N -1 1 223.238 2.490 20 0 BEADMM CC1(C)CN(C(=O)c2cncc([O-])c2)[C@H]1C1CC1 ZINC000291244893 352269223 /nfs/dbraw/zinc/26/92/23/352269223.db2.gz XREJLAHDGDVPJX-LBPRGKRZSA-N -1 1 246.310 2.048 20 0 BEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CCC1 ZINC000152511829 538104384 /nfs/dbraw/zinc/10/43/84/538104384.db2.gz WQHCWCKEQJLJKW-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000294406129 188038730 /nfs/dbraw/zinc/03/87/30/188038730.db2.gz YTIRQXWLKYOAOC-SFYZADRCSA-N -1 1 223.247 2.012 20 0 BEADMM CC(C)[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC000032012839 188358231 /nfs/dbraw/zinc/35/82/31/188358231.db2.gz BTQHNKGNVDHKQY-UHFFFAOYSA-N -1 1 213.302 2.043 20 0 BEADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000135838843 538117277 /nfs/dbraw/zinc/11/72/77/538117277.db2.gz YOJOMVZEIILOPJ-QMMMGPOBSA-N -1 1 237.274 2.307 20 0 BEADMM CC(C)(NC(=O)c1ncccc1[O-])C1CCC1 ZINC000398097903 324216916 /nfs/dbraw/zinc/21/69/16/324216916.db2.gz GDGFOVOMEQEEBC-UHFFFAOYSA-N -1 1 234.299 2.096 20 0 BEADMM Cc1ccoc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000334585598 354209116 /nfs/dbraw/zinc/20/91/16/354209116.db2.gz SMILDAVDDHGABC-PWSUYJOCSA-N -1 1 237.299 2.273 20 0 BEADMM CC[C@]1(C)CCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000334590007 354219693 /nfs/dbraw/zinc/21/96/93/354219693.db2.gz AYXJNOTUKGCRDE-CQSZACIVSA-N -1 1 248.326 2.358 20 0 BEADMM CC1(C)CCC(SCc2nn[n-]n2)CC1 ZINC000344442686 354274426 /nfs/dbraw/zinc/27/44/26/354274426.db2.gz CAWIPVIFLJNVMX-UHFFFAOYSA-N -1 1 226.349 2.402 20 0 BEADMM Cc1nc(SCc2ccncc2)[n-]c(=O)c1C ZINC000346732194 355088834 /nfs/dbraw/zinc/08/88/34/355088834.db2.gz XNEBUJPWXYYZMF-UHFFFAOYSA-N -1 1 247.323 2.486 20 0 BEADMM Cc1ccncc1C(=O)Nc1c([O-])cccc1F ZINC000608365264 355378849 /nfs/dbraw/zinc/37/88/49/355378849.db2.gz CCKIXDHOBKCSQT-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM O=C(CC1CC1)Nc1c([O-])cccc1F ZINC000608366396 355379218 /nfs/dbraw/zinc/37/92/18/355379218.db2.gz UBQNBOFERCUVQX-UHFFFAOYSA-N -1 1 209.220 2.270 20 0 BEADMM C[C@@H]1CCSCC[N@H+]1Cc1ncccc1O ZINC000583591369 355704067 /nfs/dbraw/zinc/70/40/67/355704067.db2.gz MQEBPCJISGEOFO-SNVBAGLBSA-N -1 1 238.356 2.115 20 0 BEADMM CC[C@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450290411 202120756 /nfs/dbraw/zinc/12/07/56/202120756.db2.gz CUEAXHSBODYZHM-QMMMGPOBSA-N -1 1 243.690 2.145 20 0 BEADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000380367261 356749175 /nfs/dbraw/zinc/74/91/75/356749175.db2.gz MPIUFRGFHWRMBD-OCAPTIKFSA-N -1 1 237.686 2.138 20 0 BEADMM CN(Cc1nc(C(=O)[O-])cs1)C1CCCC1 ZINC000393173175 357278370 /nfs/dbraw/zinc/27/83/70/357278370.db2.gz FGRWUGTXPBPLGD-UHFFFAOYSA-N -1 1 240.328 2.216 20 0 BEADMM CCCCCNC(=O)c1cc(F)ccc1[O-] ZINC000131789765 325183988 /nfs/dbraw/zinc/18/39/88/325183988.db2.gz UKXXSQGBFGFCLJ-UHFFFAOYSA-N -1 1 225.263 2.451 20 0 BEADMM CSCCC(=O)Nc1c([O-])cccc1F ZINC000610339827 357658461 /nfs/dbraw/zinc/65/84/61/357658461.db2.gz UTVOXPBOSMJTJT-UHFFFAOYSA-N -1 1 229.276 2.223 20 0 BEADMM C[C@@H]1C[N@H+](Cc2ncccc2O)C[C@H](C)S1 ZINC000583289717 357848552 /nfs/dbraw/zinc/84/85/52/357848552.db2.gz OWGGORWOOYNSOB-AOOOYVTPSA-N -1 1 238.356 2.113 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1C2CCC1CC2 ZINC000398891641 357890870 /nfs/dbraw/zinc/89/08/70/357890870.db2.gz ZIMAFBBRWLCLRG-UHFFFAOYSA-N -1 1 235.258 2.298 20 0 BEADMM CCCN(C(=O)c1ncccc1[O-])C(C)C ZINC000037760670 358093742 /nfs/dbraw/zinc/09/37/42/358093742.db2.gz VRVJPGNLYPEHOL-UHFFFAOYSA-N -1 1 222.288 2.048 20 0 BEADMM CCOCCCC(=O)Nc1c([O-])cccc1F ZINC000605437852 491123804 /nfs/dbraw/zinc/12/38/04/491123804.db2.gz QDSSSOQWXGUDPO-UHFFFAOYSA-N -1 1 241.262 2.287 20 0 BEADMM C[C@H](N(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC000042781322 358529750 /nfs/dbraw/zinc/52/97/50/358529750.db2.gz HKFKIUUCJHGEEE-VIFPVBQESA-N -1 1 236.315 2.294 20 0 BEADMM CN(CCCC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459129 358538937 /nfs/dbraw/zinc/53/89/37/358538937.db2.gz LMEASIUWDZYCNV-UHFFFAOYSA-N -1 1 243.253 2.261 20 0 BEADMM O=S(=O)(Cc1ccccc1)c1ccc([O-])cc1 ZINC000049489086 358690913 /nfs/dbraw/zinc/69/09/13/358690913.db2.gz SBPARSMFCCDDFH-UHFFFAOYSA-N -1 1 248.303 2.366 20 0 BEADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000088302057 359946700 /nfs/dbraw/zinc/94/67/00/359946700.db2.gz TYKNFQLUYKOGOH-NXEZZACHSA-N -1 1 236.315 2.342 20 0 BEADMM CC(C)C1(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000379703325 360750222 /nfs/dbraw/zinc/75/02/22/360750222.db2.gz CRONXOXAICDATI-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCSC1 ZINC000628960689 360773469 /nfs/dbraw/zinc/77/34/69/360773469.db2.gz QSHPVLVZOXKEOG-ZETCQYMHSA-N -1 1 241.287 2.223 20 0 BEADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628961135 360774475 /nfs/dbraw/zinc/77/44/75/360774475.db2.gz SXKZECUKOQQYTB-NKWVEPMBSA-N -1 1 209.220 2.126 20 0 BEADMM Cc1cnc(SC[C@H]2C[C@H]2C)[n-]c1=O ZINC000629179343 360926632 /nfs/dbraw/zinc/92/66/32/360926632.db2.gz CQLLSNIMFHLJLB-HTRCEHHLSA-N -1 1 210.302 2.239 20 0 BEADMM COc1cccc2c1CN(CCCCC(=O)[O-])C2 ZINC000629373917 361023617 /nfs/dbraw/zinc/02/36/17/361023617.db2.gz PTSHZQWUJPHFFG-UHFFFAOYSA-N -1 1 249.310 2.266 20 0 BEADMM O=C([O-])CCCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000629500945 361101372 /nfs/dbraw/zinc/10/13/72/361101372.db2.gz HRHVNGREKJMUFA-UHFFFAOYSA-N -1 1 249.310 2.005 20 0 BEADMM CCCc1cc(C(=O)[N-]c2conc2C)no1 ZINC000640487550 361279908 /nfs/dbraw/zinc/27/99/08/361279908.db2.gz NVWOLAAPQXJGRE-UHFFFAOYSA-N -1 1 235.243 2.176 20 0 BEADMM Cc1nocc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000640488552 361281815 /nfs/dbraw/zinc/28/18/15/361281815.db2.gz WMKKTUHDTSRHJM-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM C[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000070233360 361489710 /nfs/dbraw/zinc/48/97/10/361489710.db2.gz HCQCGVJERMQGCH-RQJHMYQMSA-N -1 1 209.211 2.244 20 0 BEADMM O=C(c1cncc([O-])c1)N1CCCC2(CC2)CC1 ZINC000629647192 361536650 /nfs/dbraw/zinc/53/66/50/361536650.db2.gz ZPIYAKGYJPNBGP-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM C[C@H](F)CCNC(=O)c1cc(F)ccc1[O-] ZINC000436532732 201330316 /nfs/dbraw/zinc/33/03/16/201330316.db2.gz HMTGWJSSGDGJMN-ZETCQYMHSA-N -1 1 229.226 2.009 20 0 BEADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(F)ccc1[O-] ZINC000436821908 201337918 /nfs/dbraw/zinc/33/79/18/201337918.db2.gz MUIJYQUOMGHLAX-GDGBQDQQSA-N -1 1 235.258 2.060 20 0 BEADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)C(F)F ZINC000452238787 202553501 /nfs/dbraw/zinc/55/35/01/202553501.db2.gz AYHDDRIBSKNGEF-SECBINFHSA-N -1 1 247.216 2.305 20 0 BEADMM O=C(N=c1[n-]sc2ccccc21)N1CCCC1 ZINC000630344516 364066121 /nfs/dbraw/zinc/06/61/21/364066121.db2.gz ATKZHDANGPURTI-UHFFFAOYSA-N -1 1 247.323 2.346 20 0 BEADMM CCN(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630399489 364127383 /nfs/dbraw/zinc/12/73/83/364127383.db2.gz MUKRCZHDAGPXEY-UHFFFAOYSA-N -1 1 241.718 2.457 20 0 BEADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630719310 364501509 /nfs/dbraw/zinc/50/15/09/364501509.db2.gz FBSKNWPEAOTTGG-UHFFFAOYSA-N -1 1 239.702 2.209 20 0 BEADMM CSCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192908 364562556 /nfs/dbraw/zinc/56/25/56/364562556.db2.gz DSOPFQPGUUNBJG-UHFFFAOYSA-N -1 1 231.704 2.347 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000615217603 364638239 /nfs/dbraw/zinc/63/82/39/364638239.db2.gz IOQCCAYDEKMPLI-MADCSZMMSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CC(C)(C)C ZINC000615222392 364641296 /nfs/dbraw/zinc/64/12/96/364641296.db2.gz SBAIYQDPTHLNML-SSDOTTSWSA-N -1 1 239.319 2.435 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000615227196 364646490 /nfs/dbraw/zinc/64/64/90/364646490.db2.gz FMWFXZYAFHRZFF-IONNQARKSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1cnc(SC[C@@H]2CCCCO2)[n-]c1=O ZINC000573579558 364868461 /nfs/dbraw/zinc/86/84/61/364868461.db2.gz WAKWVWJBMBOMRJ-VIFPVBQESA-N -1 1 240.328 2.152 20 0 BEADMM CC[C@@H](N=c1[nH]c(C(=O)[O-])co1)[C@@H]1CC1(C)C ZINC000574403847 365054780 /nfs/dbraw/zinc/05/47/80/365054780.db2.gz KJVTWWBDNHFMTM-JGVFFNPUSA-N -1 1 238.287 2.031 20 0 BEADMM CSCC[C@H](C)[N@@H+](C)Cc1ncccc1O ZINC000579763521 367002588 /nfs/dbraw/zinc/00/25/88/367002588.db2.gz BMHHRGDPNNBVHY-JTQLQIEISA-N -1 1 240.372 2.361 20 0 BEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000580958986 367218113 /nfs/dbraw/zinc/21/81/13/367218113.db2.gz COFBWVPZTAIFQS-SECBINFHSA-N -1 1 249.310 2.126 20 0 BEADMM CCC[C@@H](C(=O)[N-]OC)c1ccccc1 ZINC000042003357 368298904 /nfs/dbraw/zinc/29/89/04/368298904.db2.gz MTEWRDCYBHLLMA-LLVKDONJSA-N -1 1 207.273 2.248 20 0 BEADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cncc([O-])c1 ZINC000616165680 369000400 /nfs/dbraw/zinc/00/04/00/369000400.db2.gz UBDDNSMSZQPOET-SECBINFHSA-N -1 1 234.299 2.190 20 0 BEADMM O=C(NCC1=CCCC1)c1cc(F)ccc1[O-] ZINC000620007062 369662678 /nfs/dbraw/zinc/66/26/78/369662678.db2.gz MUKBRPCRSKFGLR-UHFFFAOYSA-N -1 1 235.258 2.371 20 0 BEADMM C[C@@H]1CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000620213672 369773191 /nfs/dbraw/zinc/77/31/91/369773191.db2.gz DHPKPQDBVRZKJF-SSDOTTSWSA-N -1 1 225.675 2.280 20 0 BEADMM O=C([N-]c1c(F)cccc1F)c1cocn1 ZINC000074695596 370004982 /nfs/dbraw/zinc/00/49/82/370004982.db2.gz KAMLCUVORVNCNB-UHFFFAOYSA-N -1 1 224.166 2.205 20 0 BEADMM Cc1conc1C(=O)Nc1cccc(F)c1[O-] ZINC001642769194 1172396585 /nfs/dbraw/zinc/39/65/85/1172396585.db2.gz OEJXDUHNIHUELG-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM C[C@H]1C[C@H](C)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000378655646 371009708 /nfs/dbraw/zinc/00/97/08/371009708.db2.gz AMHNKJYWBCVGAZ-YUMQZZPRSA-N -1 1 240.328 2.072 20 0 BEADMM CCN(Cc1nc(C(=O)[O-])cs1)CC(C)C ZINC000378658780 371012264 /nfs/dbraw/zinc/01/22/64/371012264.db2.gz FAWUUEZQCIUNHQ-UHFFFAOYSA-N -1 1 242.344 2.319 20 0 BEADMM O=C(CSC1CC1)Nc1ccc(F)cc1[O-] ZINC000294959324 182008194 /nfs/dbraw/zinc/00/81/94/182008194.db2.gz NDWVUBDVKPSPEI-UHFFFAOYSA-N -1 1 241.287 2.365 20 0 BEADMM Cc1nocc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000632404885 372922965 /nfs/dbraw/zinc/92/29/65/372922965.db2.gz YOTKHBKNAIDUIL-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]1C(F)F ZINC000633236038 373384547 /nfs/dbraw/zinc/38/45/47/373384547.db2.gz IMOVMADHQSFBPF-VIFPVBQESA-N -1 1 245.200 2.011 20 0 BEADMM O=C([N-]CCSc1ccccc1)C(F)(F)F ZINC000039171524 182198334 /nfs/dbraw/zinc/19/83/34/182198334.db2.gz FMBJFKFMNCDCLQ-UHFFFAOYSA-N -1 1 249.257 2.457 20 0 BEADMM C[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC000070410722 374141640 /nfs/dbraw/zinc/14/16/40/374141640.db2.gz RSTYIPFVYYWXFA-SNVBAGLBSA-N -1 1 234.299 2.192 20 0 BEADMM C[C@@H](CC1CCC1)NC(=O)c1cncc([O-])c1 ZINC000634369601 374218096 /nfs/dbraw/zinc/21/80/96/374218096.db2.gz DXPKRASCSYIRSI-VIFPVBQESA-N -1 1 234.299 2.096 20 0 BEADMM O=C([N-][C@H](c1ccccc1)C(F)F)C(F)F ZINC000294186558 182324672 /nfs/dbraw/zinc/32/46/72/182324672.db2.gz WMQLHPPLNLVHBW-SSDOTTSWSA-N -1 1 235.180 2.374 20 0 BEADMM O=C(Nc1cccc(O)c1)c1cc(F)ccc1[O-] ZINC000128691768 182372400 /nfs/dbraw/zinc/37/24/00/182372400.db2.gz ILCZZGOLFUZJQO-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM O=C(Nc1ccncc1[O-])c1ccsc1 ZINC000109889656 182388236 /nfs/dbraw/zinc/38/82/36/182388236.db2.gz ZKYZLPXJECDUBZ-UHFFFAOYSA-N -1 1 220.253 2.101 20 0 BEADMM O=C(c1cc(Cl)ccc1[O-])N1CCCCO1 ZINC000180899922 182649384 /nfs/dbraw/zinc/64/93/84/182649384.db2.gz KHWMACLOCYUFGF-UHFFFAOYSA-N -1 1 241.674 2.213 20 0 BEADMM O=C(c1cncc([O-])c1)N(CC1CC1)C1CCC1 ZINC000329110012 182700277 /nfs/dbraw/zinc/70/02/77/182700277.db2.gz QCOMYJOCDIJBDI-UHFFFAOYSA-N -1 1 246.310 2.192 20 0 BEADMM CCCN(CC(=O)[O-])Cc1c(F)cccc1F ZINC000086776150 169099081 /nfs/dbraw/zinc/09/90/81/169099081.db2.gz NAOLIHLPGFAWDY-UHFFFAOYSA-N -1 1 243.253 2.261 20 0 BEADMM CCCN(CC1CC1)C(=O)c1ncc(C)cc1[O-] ZINC000332187317 169137018 /nfs/dbraw/zinc/13/70/18/169137018.db2.gz PXJXZJXVPLQTCF-UHFFFAOYSA-N -1 1 248.326 2.358 20 0 BEADMM O=c1cc(C2CC2)nc(SCc2ccon2)[n-]1 ZINC000188150975 183257562 /nfs/dbraw/zinc/25/75/62/183257562.db2.gz FFIVGSHTCDPEFY-UHFFFAOYSA-N -1 1 249.295 2.340 20 0 BEADMM CCC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000037760755 169363839 /nfs/dbraw/zinc/36/38/39/169363839.db2.gz RWBCJIKQLPTRGP-SECBINFHSA-N -1 1 222.288 2.048 20 0 BEADMM C[C@H](Cc1cccs1)[N-]C(=O)C(F)(F)F ZINC000112021312 383890863 /nfs/dbraw/zinc/89/08/63/383890863.db2.gz LNTFRQJYFKWNJM-ZCFIWIBFSA-N -1 1 237.246 2.358 20 0 BEADMM CCC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000037760756 384010920 /nfs/dbraw/zinc/01/09/20/384010920.db2.gz RWBCJIKQLPTRGP-VIFPVBQESA-N -1 1 222.288 2.048 20 0 BEADMM O=C(CCC1CC1)Nc1nc(-c2ccco2)n[nH]1 ZINC000115361211 384078699 /nfs/dbraw/zinc/07/86/99/384078699.db2.gz TVDQLEAJPWHGTI-UHFFFAOYSA-N -1 1 246.270 2.193 20 0 BEADMM FC(F)(F)c1nc(=N[C@@H]2C[C@H]3C[C@H]3C2)s[n-]1 ZINC000335394539 384255117 /nfs/dbraw/zinc/25/51/17/384255117.db2.gz IGZAOMUTXDGKPH-FPFOFBBKSA-N -1 1 249.261 2.189 20 0 BEADMM Cc1cc(CN(C)[C@H](C)C(=O)[O-])c(C)s1 ZINC000083406997 384300835 /nfs/dbraw/zinc/30/08/35/384300835.db2.gz WVWUITNANSHIKP-MRVPVSSYSA-N -1 1 227.329 2.270 20 0 BEADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)(F)F ZINC000335656003 384457228 /nfs/dbraw/zinc/45/72/28/384457228.db2.gz GYIMZZDSGTVZJQ-ZCFIWIBFSA-N -1 1 247.216 2.305 20 0 BEADMM CSCCCNC(=O)c1cc(F)ccc1[O-] ZINC000080029011 384526725 /nfs/dbraw/zinc/52/67/25/384526725.db2.gz OFDZCYNRGPVYBH-UHFFFAOYSA-N -1 1 243.303 2.014 20 0 BEADMM CC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000647466468 385054004 /nfs/dbraw/zinc/05/40/04/385054004.db2.gz CLKKSJJGQXUNHP-IEBDPFPHSA-N -1 1 237.299 2.356 20 0 BEADMM CC[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188358753 385044941 /nfs/dbraw/zinc/04/49/41/385044941.db2.gz KLWCQXMJDFHZQX-ZCFIWIBFSA-N -1 1 228.679 2.425 20 0 BEADMM CC(C)C[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000279534272 385142081 /nfs/dbraw/zinc/14/20/81/385142081.db2.gz WFKOUUDMOCNVPE-LLVKDONJSA-N -1 1 248.326 2.295 20 0 BEADMM CCN(C(=O)c1cncc([O-])c1)C1CCCC1 ZINC000109040699 385130008 /nfs/dbraw/zinc/13/00/08/385130008.db2.gz GBNSOZONNXDAAN-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H](C)CC2)n1 ZINC000176828848 385151086 /nfs/dbraw/zinc/15/10/86/385151086.db2.gz LYXMTTDREWEWNH-LLVKDONJSA-N -1 1 249.358 2.367 20 0 BEADMM CC(C)=CCNC(=O)c1c([O-])cccc1F ZINC000191762354 385324654 /nfs/dbraw/zinc/32/46/54/385324654.db2.gz IFWCCAZQUCSJHG-UHFFFAOYSA-N -1 1 223.247 2.227 20 0 BEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000131792894 385361097 /nfs/dbraw/zinc/36/10/97/385361097.db2.gz KEBDPBXDKAKOAE-ZETCQYMHSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])C1CC1 ZINC000194587822 385441234 /nfs/dbraw/zinc/44/12/34/385441234.db2.gz GZUOSQZMNPAJLV-LURJTMIESA-N -1 1 240.690 2.425 20 0 BEADMM CC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362250614 385464391 /nfs/dbraw/zinc/46/43/91/385464391.db2.gz MVYUVEWPMPGVFA-UHFFFAOYSA-N -1 1 242.238 2.176 20 0 BEADMM C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000116351650 385730092 /nfs/dbraw/zinc/73/00/92/385730092.db2.gz IHYYRFJOAMMDOR-PSASIEDQSA-N -1 1 225.313 2.358 20 0 BEADMM CC[C@@H](C)C[C@@H](C)N=c1nc(COC)[n-]s1 ZINC000336739827 385784640 /nfs/dbraw/zinc/78/46/40/385784640.db2.gz POACZRRLMLUKCG-RKDXNWHRSA-N -1 1 243.376 2.343 20 0 BEADMM Cc1ccoc1CNC1(C(=O)[O-])CCCCC1 ZINC000284333877 385863855 /nfs/dbraw/zinc/86/38/55/385863855.db2.gz UTSPLVXYWNNGET-UHFFFAOYSA-N -1 1 237.299 2.465 20 0 BEADMM CS[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000294992922 385936693 /nfs/dbraw/zinc/93/66/93/385936693.db2.gz HSQJVIZGFZIJAA-GFCCVEGCSA-N -1 1 241.331 2.469 20 0 BEADMM Cc1cnc(C(=O)N2CCC3(CCC3)C2)c([O-])c1 ZINC000334931073 386016092 /nfs/dbraw/zinc/01/60/92/386016092.db2.gz QREJMHUATVJTOA-UHFFFAOYSA-N -1 1 246.310 2.112 20 0 BEADMM C[C@H](CF)NC(=O)c1ccc(Cl)cc1[O-] ZINC000288065621 386164582 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386324871 /nfs/dbraw/zinc/32/48/71/386324871.db2.gz NWLZGRJJOUKLLD-GARJFASQSA-N -1 1 233.315 2.360 20 0 BEADMM COC(=O)CCc1cccc(Cl)c1[O-] ZINC000238359149 386470975 /nfs/dbraw/zinc/47/09/75/386470975.db2.gz ALQOREIKBCOKDG-UHFFFAOYSA-N -1 1 214.648 2.151 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC12CC2 ZINC000643339590 386482542 /nfs/dbraw/zinc/48/25/42/386482542.db2.gz XRVSUAIGOHQJEA-SSDOTTSWSA-N -1 1 221.231 2.270 20 0 BEADMM Cc1ccc(CC(=O)[N-]OC/C=C/Cl)s1 ZINC000291866876 386593218 /nfs/dbraw/zinc/59/32/18/386593218.db2.gz PEVXKADVNVCBOD-GORDUTHDSA-N -1 1 245.731 2.399 20 0 BEADMM CCC[C@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000358748568 387007868 /nfs/dbraw/zinc/00/78/68/387007868.db2.gz ZLAWRMXTRWJTEA-JTQLQIEISA-N -1 1 236.315 2.356 20 0 BEADMM CCCC(C)(C)NC(=O)c1ncccc1[O-] ZINC000126266976 387011386 /nfs/dbraw/zinc/01/13/86/387011386.db2.gz GVIKLONPLKZNAS-UHFFFAOYSA-N -1 1 222.288 2.096 20 0 BEADMM CC1(C)C[C@@H]1c1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000334945010 387022084 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/nfs/dbraw/zinc/03/06/90/412030690.db2.gz QVIRKGVOIRGJCF-UHFFFAOYSA-N -1 1 240.209 2.483 20 0 BEADMM CC[C@H](C)CONC(=O)c1cc(F)ccc1[O-] ZINC000293673959 171290199 /nfs/dbraw/zinc/29/01/99/171290199.db2.gz IUDDPRXBEOBDOD-QMMMGPOBSA-N -1 1 241.262 2.239 20 0 BEADMM CC[C@H](C)Sc1nc(C(=O)OC)c[n-]1 ZINC000193540134 171357053 /nfs/dbraw/zinc/35/70/53/171357053.db2.gz FSPHFGXNVCKDAK-LURJTMIESA-N -1 1 214.290 2.087 20 0 BEADMM CC[C@H](C)[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000358612459 171387960 /nfs/dbraw/zinc/38/79/60/171387960.db2.gz FQEZDJHSIKZILJ-UWVGGRQHSA-N -1 1 236.315 2.260 20 0 BEADMM Cc1cccc(NCC2(C(=O)[O-])CCC2)n1 ZINC000662901640 412341241 /nfs/dbraw/zinc/34/12/41/412341241.db2.gz XUZFDUPIIYALDR-UHFFFAOYSA-N -1 1 220.272 2.057 20 0 BEADMM CN(C(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000226270274 172339980 /nfs/dbraw/zinc/33/99/80/172339980.db2.gz IGQMKNMPOSHPCA-UHFFFAOYSA-N -1 1 223.247 2.156 20 0 BEADMM C[C@@H]1CCCCN(C(=O)c2cncc([O-])c2)C1 ZINC000186245005 176064825 /nfs/dbraw/zinc/06/48/25/176064825.db2.gz IMBQRVRHRVXNJN-SNVBAGLBSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000042495515 176120283 /nfs/dbraw/zinc/12/02/83/176120283.db2.gz LKKWOASLIUMPKG-GHMZBOCLSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000273639217 176165351 /nfs/dbraw/zinc/16/53/51/176165351.db2.gz RQEMZYBSACQPOK-SNVBAGLBSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ncccc2[O-])C1 ZINC000119360957 176165367 /nfs/dbraw/zinc/16/53/67/176165367.db2.gz JCEMPXYNIWYDCE-GHMZBOCLSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1CC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000309447017 176217278 /nfs/dbraw/zinc/21/72/78/176217278.db2.gz PSRHKMVQLFUHAW-APPZFPTMSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@@H]1CC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000309447020 176236953 /nfs/dbraw/zinc/23/69/53/176236953.db2.gz PSRHKMVQLFUHAW-VXNVDRBHSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000294241011 176258761 /nfs/dbraw/zinc/25/87/61/176258761.db2.gz SCKLQNBPRWCRGN-RNFRBKRXSA-N -1 1 241.237 2.151 20 0 BEADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H]1C ZINC000147698382 176259804 /nfs/dbraw/zinc/25/98/04/176259804.db2.gz PUOCFPCIVZHCDV-RKDXNWHRSA-N -1 1 237.274 2.259 20 0 BEADMM C[C@H]1CCCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000104409635 177086432 /nfs/dbraw/zinc/08/64/32/177086432.db2.gz DORDXUJORAKSAQ-QWRGUYRKSA-N -1 1 248.326 2.343 20 0 BEADMM C[C@H]1CCCN(C(=O)c2cncc([O-])c2)[C@H]1C ZINC000104427158 177096387 /nfs/dbraw/zinc/09/63/87/177096387.db2.gz SZVGAQIRTCOBSK-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000111739295 177119978 /nfs/dbraw/zinc/11/99/78/177119978.db2.gz MSDHHOHASUPTFV-CMPLNLGQSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000037760580 177130999 /nfs/dbraw/zinc/13/09/99/177130999.db2.gz GGWRZKRQBOLCFC-UWVGGRQHSA-N -1 1 234.299 2.190 20 0 BEADMM C[C@@H]1C[C@@H](C)CCN1C(=O)c1ncccc1[O-] ZINC000051734489 177156187 /nfs/dbraw/zinc/15/61/87/177156187.db2.gz ZERSKYPXPQUHMD-VHSXEESVSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H](C)C1 ZINC000119361112 177156222 /nfs/dbraw/zinc/15/62/22/177156222.db2.gz JCEMPXYNIWYDCE-WDEREUQCSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@@H]1C ZINC000147698182 177226039 /nfs/dbraw/zinc/22/60/39/177226039.db2.gz PUOCFPCIVZHCDV-IUCAKERBSA-N -1 1 237.274 2.259 20 0 BEADMM Cc1cnc(C(=O)NC(C2CC2)C2CC2)c([O-])c1 ZINC000680843156 487656936 /nfs/dbraw/zinc/65/69/36/487656936.db2.gz NEIRHASMYPUVRT-UHFFFAOYSA-N -1 1 246.310 2.014 20 0 BEADMM CCc1onc(C)c1[N-]C(=O)c1nccs1 ZINC000683564683 487674985 /nfs/dbraw/zinc/67/49/85/487674985.db2.gz KLPBBJNHSHGVIV-UHFFFAOYSA-N -1 1 237.284 2.254 20 0 BEADMM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000659799985 487684220 /nfs/dbraw/zinc/68/42/20/487684220.db2.gz LQRIAAUJONZSTK-GHMZBOCLSA-N -1 1 249.285 2.366 20 0 BEADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681037338 487702480 /nfs/dbraw/zinc/70/24/80/487702480.db2.gz BIWHSFZUZYHLPN-QMMMGPOBSA-N -1 1 223.247 2.013 20 0 BEADMM CCN(CC(F)F)C(=O)c1ccc([O-])c(F)c1 ZINC000681068517 487710805 /nfs/dbraw/zinc/71/08/05/487710805.db2.gz QHBZXMYRNAYUHY-UHFFFAOYSA-N -1 1 247.216 2.259 20 0 BEADMM COC[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195084983 487764258 /nfs/dbraw/zinc/76/42/58/487764258.db2.gz ULEINZFDKMWESL-ZETCQYMHSA-N -1 1 240.328 2.187 20 0 BEADMM O=C(Cc1ccoc1)Nc1c([O-])cccc1F ZINC000681343100 487781280 /nfs/dbraw/zinc/78/12/80/487781280.db2.gz BSORCZYPCZUVHR-UHFFFAOYSA-N -1 1 235.214 2.306 20 0 BEADMM Cc1cnc(C(=O)N[C@@H](C)C2CCC2)c([O-])c1 ZINC000681743322 487851588 /nfs/dbraw/zinc/85/15/88/487851588.db2.gz QXDQKCWPTVGNNL-VIFPVBQESA-N -1 1 234.299 2.014 20 0 BEADMM Cc1[n-]n(CCCc2ccccc2)c(=O)c1C ZINC000109351649 487862400 /nfs/dbraw/zinc/86/24/00/487862400.db2.gz YKGAOTKNOWOKRV-NSHDSACASA-N -1 1 230.311 2.473 20 0 BEADMM Cc1[n-]n(CCCc2ccccc2)c(=O)c1C ZINC000109351646 487862442 /nfs/dbraw/zinc/86/24/42/487862442.db2.gz YKGAOTKNOWOKRV-LLVKDONJSA-N -1 1 230.311 2.473 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2cccc(F)c2C)c1[O-] ZINC000676700058 487895040 /nfs/dbraw/zinc/89/50/40/487895040.db2.gz FMOUGFFQTCDMLI-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM CC[C@@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000572601956 323036206 /nfs/dbraw/zinc/03/62/06/323036206.db2.gz CLKKSJJGQXUNHP-JMJZKYOTSA-N -1 1 237.299 2.356 20 0 BEADMM C[C@@H](C1CC1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000153674916 323052723 /nfs/dbraw/zinc/05/27/23/323052723.db2.gz ICKAWCNHFRGCMC-VIFPVBQESA-N -1 1 246.310 2.190 20 0 BEADMM CC(=O)[C@H](Sc1ncc(C)c(=O)[n-]1)C(C)C ZINC000570645484 323065854 /nfs/dbraw/zinc/06/58/54/323065854.db2.gz HDSIZXUNSAKNBU-SECBINFHSA-N -1 1 240.328 2.196 20 0 BEADMM CC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)C(C)C ZINC000570645489 323065908 /nfs/dbraw/zinc/06/59/08/323065908.db2.gz HDSIZXUNSAKNBU-VIFPVBQESA-N -1 1 240.328 2.196 20 0 BEADMM CCO[C@@H](CC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005615 323195657 /nfs/dbraw/zinc/19/56/57/323195657.db2.gz JMSHVGQWNAPZQM-JTQLQIEISA-N -1 1 241.262 2.285 20 0 BEADMM Cc1ccncc1N(C)C(=O)c1ccccc1[O-] ZINC000546656804 325299336 /nfs/dbraw/zinc/29/93/36/325299336.db2.gz LFHFCNTVNWUHEC-UHFFFAOYSA-N -1 1 242.278 2.372 20 0 BEADMM COC(C)(C)CCSc1ncc(C)c(=O)[n-]1 ZINC000566497393 326058490 /nfs/dbraw/zinc/05/84/90/326058490.db2.gz BCIRQXLMYBFQSX-UHFFFAOYSA-N -1 1 242.344 2.398 20 0 BEADMM C[C@H](c1ccco1)N(C)C(=O)c1ncccc1[O-] ZINC000153553260 326101721 /nfs/dbraw/zinc/10/17/21/326101721.db2.gz LXSUSCPQGUOULP-SECBINFHSA-N -1 1 246.266 2.213 20 0 BEADMM O=C(NCCCF)c1ccc(Cl)cc1[O-] ZINC000154164544 326134089 /nfs/dbraw/zinc/13/40/89/326134089.db2.gz SQAGETDQHFPSDB-UHFFFAOYSA-N -1 1 231.654 2.135 20 0 BEADMM CC[C@@H](C(=O)[O-])N(C)Cc1sc(C)nc1C ZINC000084149088 488025447 /nfs/dbraw/zinc/02/54/47/488025447.db2.gz QEGSWUAIKFMYFD-VIFPVBQESA-N -1 1 242.344 2.055 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1sc(C)nc1C ZINC000084149089 488026716 /nfs/dbraw/zinc/02/67/16/488026716.db2.gz QEGSWUAIKFMYFD-SECBINFHSA-N -1 1 242.344 2.055 20 0 BEADMM C[C@@H]1C[C@@H](C)N1C(=O)c1c(F)ccc([O-])c1F ZINC000685486247 487538134 /nfs/dbraw/zinc/53/81/34/487538134.db2.gz UJWZLMPHAPICFR-RNFRBKRXSA-N -1 1 241.237 2.293 20 0 BEADMM C[C@@H]1C[C@H](C)N1C(=O)c1c(F)ccc([O-])c1F ZINC000685486246 487538512 /nfs/dbraw/zinc/53/85/12/487538512.db2.gz UJWZLMPHAPICFR-KNVOCYPGSA-N -1 1 241.237 2.293 20 0 BEADMM CC[C@H](C)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC000393958087 487486535 /nfs/dbraw/zinc/48/65/35/487486535.db2.gz YXRZVFUEMVPAJT-QMMMGPOBSA-N -1 1 242.344 2.462 20 0 BEADMM C[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000031945130 487534676 /nfs/dbraw/zinc/53/46/76/487534676.db2.gz MNGIBRPPHUHRTD-QMMMGPOBSA-N -1 1 240.328 2.073 20 0 BEADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1cnoc1 ZINC000680534046 487613113 /nfs/dbraw/zinc/61/31/13/487613113.db2.gz OBQAUDVIJYTLST-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc([O-])c(F)c1 ZINC000683888205 488236575 /nfs/dbraw/zinc/23/65/75/488236575.db2.gz KVKBGYKTJYNKAN-BZBKMWRSSA-N -1 1 235.258 2.060 20 0 BEADMM O=C(NCc1ccccc1)c1ccc([O-])c(F)c1 ZINC000075910674 490546845 /nfs/dbraw/zinc/54/68/45/490546845.db2.gz ABXMUJGUDUZGCE-UHFFFAOYSA-N -1 1 245.253 2.461 20 0 BEADMM CC(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000075909049 490546903 /nfs/dbraw/zinc/54/69/03/490546903.db2.gz YKDYSVJKHHLLKY-UHFFFAOYSA-N -1 1 211.236 2.060 20 0 BEADMM C[C@H](CNC(=O)c1c([O-])cccc1F)C1CC1 ZINC000228840930 491106710 /nfs/dbraw/zinc/10/67/10/491106710.db2.gz PYPCZPDGROLZMI-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM CCn1nccc1NC(=O)c1ccc([O-])cc1F ZINC000336143603 535886129 /nfs/dbraw/zinc/88/61/29/535886129.db2.gz BOIYJDCLRYOBQB-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM COc1ccc2nc(-c3cc[nH]c3)[n-]c(=O)c2c1 ZINC000438871974 537941327 /nfs/dbraw/zinc/94/13/27/537941327.db2.gz QOMNQBLKOVAZRP-UHFFFAOYSA-N -1 1 241.250 2.339 20 0 BEADMM O=C([N-]CCOC1CCCCC1)C(F)(F)F ZINC000112022202 588780505 /nfs/dbraw/zinc/78/05/05/588780505.db2.gz DMWAHXQOWXTPDL-UHFFFAOYSA-N -1 1 239.237 2.014 20 0 BEADMM C[C@@H](C(=O)[N-]Oc1ccccc1)C1CC1 ZINC000854537154 588791639 /nfs/dbraw/zinc/79/16/39/588791639.db2.gz OTWOXIYPPVLSBH-SECBINFHSA-N -1 1 205.257 2.143 20 0 BEADMM CCCC(C)=CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000854634638 588798447 /nfs/dbraw/zinc/79/84/47/588798447.db2.gz FYQPVNCSVZGJDF-VOTSOKGWSA-N -1 1 223.276 2.109 20 0 BEADMM Cc1ccc([C@H](C)C(=O)Nc2c(C)[n-][nH]c2=O)o1 ZINC000854635340 588798594 /nfs/dbraw/zinc/79/85/94/588798594.db2.gz RVFGJSVTTCXMLI-ZETCQYMHSA-N -1 1 249.270 2.067 20 0 BEADMM CCC(C)(C)CNc1cc(=O)[n-]c(COC)n1 ZINC000893485252 583152682 /nfs/dbraw/zinc/15/26/82/583152682.db2.gz VQDADYCZNBRYKG-UHFFFAOYSA-N -1 1 239.319 2.177 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CCC(F)CC1 ZINC000881611010 583581836 /nfs/dbraw/zinc/58/18/36/583581836.db2.gz FNAJAPAKRZHNLD-UHFFFAOYSA-N -1 1 241.237 2.105 20 0 BEADMM CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1O ZINC000895525835 583684543 /nfs/dbraw/zinc/68/45/43/583684543.db2.gz BEQFXTOZTJLNKU-LLVKDONJSA-N -1 1 248.326 2.204 20 0 BEADMM C[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858309004 588943596 /nfs/dbraw/zinc/94/35/96/588943596.db2.gz YVUXFHQJEHVDJT-SSDOTTSWSA-N -1 1 227.695 2.072 20 0 BEADMM CCCN(CC(=O)[O-])Cc1cc(C)oc1C ZINC000840997840 583964121 /nfs/dbraw/zinc/96/41/21/583964121.db2.gz YWWBCCIPHFKJAL-UHFFFAOYSA-N -1 1 225.288 2.193 20 0 BEADMM CC[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858346732 588947778 /nfs/dbraw/zinc/94/77/78/588947778.db2.gz QZKGHTHAGNBGNQ-QMMMGPOBSA-N -1 1 241.722 2.462 20 0 BEADMM CC(C)CN(c1cc(Cl)[n-]c(=O)n1)C1CC1 ZINC000858342832 588947925 /nfs/dbraw/zinc/94/79/25/588947925.db2.gz SVAKGLLAPXAVFC-UHFFFAOYSA-N -1 1 241.722 2.460 20 0 BEADMM CC[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858387751 588950394 /nfs/dbraw/zinc/95/03/94/588950394.db2.gz GJBPSEXFGVDRNM-ZETCQYMHSA-N -1 1 227.695 2.214 20 0 BEADMM CSCCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858416206 588952275 /nfs/dbraw/zinc/95/22/75/588952275.db2.gz KKEKQDMKAVIXGC-UHFFFAOYSA-N -1 1 247.751 2.391 20 0 BEADMM C[C@H](N(C)c1cc(Cl)[n-]c(=O)n1)C1(C)CC1 ZINC000858440355 588954785 /nfs/dbraw/zinc/95/47/85/588954785.db2.gz RRPPUSJNNPBXEH-ZETCQYMHSA-N -1 1 241.722 2.460 20 0 BEADMM CC[C@]1(C)CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858444335 588955369 /nfs/dbraw/zinc/95/53/69/588955369.db2.gz VSEVIDMPRJODCP-LLVKDONJSA-N -1 1 241.722 2.462 20 0 BEADMM CC[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858442756 588955465 /nfs/dbraw/zinc/95/54/65/588955465.db2.gz ZUWVKFGEVDMSTM-SSDOTTSWSA-N -1 1 227.695 2.072 20 0 BEADMM O=c1nc(NC[C@H]2CCCS2)cc(Cl)[n-]1 ZINC000858442336 588955533 /nfs/dbraw/zinc/95/55/33/588955533.db2.gz GDPAWRKVHLSILQ-ZCFIWIBFSA-N -1 1 245.735 2.143 20 0 BEADMM CC1(C)SC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858508196 588961323 /nfs/dbraw/zinc/96/13/23/588961323.db2.gz UFBYUHSIGCPMQP-RXMQYKEDSA-N -1 1 245.735 2.142 20 0 BEADMM O=c1nc(N2CC[C@H](C3CC3)C2)cc(Cl)[n-]1 ZINC000858462983 588957256 /nfs/dbraw/zinc/95/72/56/588957256.db2.gz ZOIQBNZCGQHPPF-QMMMGPOBSA-N -1 1 239.706 2.072 20 0 BEADMM O=C([N-]Oc1ccc(F)cc1)C1CCCC1 ZINC000898571317 584142165 /nfs/dbraw/zinc/14/21/65/584142165.db2.gz FEYRYEQCQDZBOJ-UHFFFAOYSA-N -1 1 223.247 2.426 20 0 BEADMM O=c1nc(N2CCCC23CCC3)cc(Cl)[n-]1 ZINC000858517657 588962372 /nfs/dbraw/zinc/96/23/72/588962372.db2.gz UAOMTQPYRHPPKW-UHFFFAOYSA-N -1 1 239.706 2.359 20 0 BEADMM O=c1nc(NC[C@@H]2CCSC2)cc(Cl)[n-]1 ZINC000858522073 588962733 /nfs/dbraw/zinc/96/27/33/588962733.db2.gz ZPJIQVGGKDMHGA-LURJTMIESA-N -1 1 245.735 2.001 20 0 BEADMM CC[C@@H]1C[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858559351 588965741 /nfs/dbraw/zinc/96/57/41/588965741.db2.gz KYUIFEDDTWGBIW-RQJHMYQMSA-N -1 1 227.695 2.294 20 0 BEADMM CCC[C@H](CNc1cc(Cl)[n-]c(=O)n1)OC ZINC000858557645 588965796 /nfs/dbraw/zinc/96/57/96/588965796.db2.gz UXJBPKHRIWCTKV-SSDOTTSWSA-N -1 1 245.710 2.063 20 0 BEADMM C[C@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CS1 ZINC000858568605 588967264 /nfs/dbraw/zinc/96/72/64/588967264.db2.gz VARLMDDRZPPDDA-NTSWFWBYSA-N -1 1 245.735 2.142 20 0 BEADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CC(C)(C)C1 ZINC000858568532 588967428 /nfs/dbraw/zinc/96/74/28/588967428.db2.gz NQWGXYPNGMYALR-UHFFFAOYSA-N -1 1 241.722 2.460 20 0 BEADMM O=c1nc(N[C@@H]2C[C@H]3C[C@H]3C2)cc(Cl)[n-]1 ZINC000858583492 588969348 /nfs/dbraw/zinc/96/93/48/588969348.db2.gz CIJZEHXQLOCSRU-KVSKUHBBSA-N -1 1 225.679 2.046 20 0 BEADMM CCN(CC(=O)[O-])Cc1csc(C)c1C ZINC000901425185 584442745 /nfs/dbraw/zinc/44/27/45/584442745.db2.gz WBZORNMVPFOJPJ-UHFFFAOYSA-N -1 1 227.329 2.271 20 0 BEADMM O=C([O-])[C@H]1CN(CC2(F)CC2)Cc2ccccc21 ZINC000901622590 584469956 /nfs/dbraw/zinc/46/99/56/584469956.db2.gz OZVSRAMOVHTZMQ-LBPRGKRZSA-N -1 1 249.285 2.173 20 0 BEADMM CC[C@@H](C)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000901681891 584480378 /nfs/dbraw/zinc/48/03/78/584480378.db2.gz NEKUPQHUMHHUPX-KOLCDFICSA-N -1 1 225.288 2.259 20 0 BEADMM CCCCC[C@@H](NCc1ccco1)C(=O)[O-] ZINC000901725126 584485012 /nfs/dbraw/zinc/48/50/12/584485012.db2.gz SJJUPVVSCOHZNV-LLVKDONJSA-N -1 1 225.288 2.403 20 0 BEADMM CC(C)N(CC(=O)[O-])Cc1cc2cccnc2o1 ZINC000901978237 584509718 /nfs/dbraw/zinc/50/97/18/584509718.db2.gz WPDXVOHYHAKSRX-UHFFFAOYSA-N -1 1 248.282 2.123 20 0 BEADMM Cc1ccoc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000902015434 584513953 /nfs/dbraw/zinc/51/39/53/584513953.db2.gz IUSXRLKWJMGFDU-GXSJLCMTSA-N -1 1 237.299 2.273 20 0 BEADMM Cc1ccoc1CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000902015434 584513954 /nfs/dbraw/zinc/51/39/54/584513954.db2.gz IUSXRLKWJMGFDU-GXSJLCMTSA-N -1 1 237.299 2.273 20 0 BEADMM C[C@H](CC(C)(C)CC(=O)[O-])NCC(F)F ZINC000902240886 584542660 /nfs/dbraw/zinc/54/26/60/584542660.db2.gz XPPSJRCJFBAKNB-SSDOTTSWSA-N -1 1 223.263 2.121 20 0 BEADMM CC/C=C\CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902280075 584547336 /nfs/dbraw/zinc/54/73/36/584547336.db2.gz NKHZUYGYTFNBQK-KPDBFRNYSA-N -1 1 235.283 2.433 20 0 BEADMM CC(C)c1ccccc1CNC[C@H](F)C(=O)[O-] ZINC000904043546 584838333 /nfs/dbraw/zinc/83/83/33/584838333.db2.gz SLRWJZBXTIHWSD-LBPRGKRZSA-N -1 1 239.290 2.322 20 0 BEADMM O=C([N-]C[C@H]1CCc2ccccc21)C(F)(F)F ZINC000732135544 584934039 /nfs/dbraw/zinc/93/40/39/584934039.db2.gz CPGLSCXLIDXNPW-SECBINFHSA-N -1 1 243.228 2.395 20 0 BEADMM CCN(CCC(=O)[O-])Cc1cccnc1Cl ZINC000737095755 585025733 /nfs/dbraw/zinc/02/57/33/585025733.db2.gz DOTGLPXSERREMC-UHFFFAOYSA-N -1 1 242.706 2.032 20 0 BEADMM CCc1ccc(CN[C@H](C(=O)[O-])C(C)(C)C)o1 ZINC000756339457 585317974 /nfs/dbraw/zinc/31/79/74/585317974.db2.gz PILCSGZVKYKLEI-LLVKDONJSA-N -1 1 239.315 2.431 20 0 BEADMM Cc1ccc2nc(-c3ccc[nH]3)[n-]c(=O)c2c1 ZINC000762443975 585432248 /nfs/dbraw/zinc/43/22/48/585432248.db2.gz VJLFTPRTKGSFTF-UHFFFAOYSA-N -1 1 225.251 2.227 20 0 BEADMM O=C(NOc1ccccc1)c1ccc([O-])cc1F ZINC000773470140 585637411 /nfs/dbraw/zinc/63/74/11/585637411.db2.gz WOMRVHODJBZSLO-UHFFFAOYSA-N -1 1 247.225 2.255 20 0 BEADMM C[C@@H](C(=O)[N-]Oc1ccccc1)C1CCOCC1 ZINC000773468509 585637543 /nfs/dbraw/zinc/63/75/43/585637543.db2.gz QUUHRDFWIPCISM-LLVKDONJSA-N -1 1 249.310 2.159 20 0 BEADMM C/C=C/COC(=O)c1ccc([O-])cc1F ZINC000773573467 585640582 /nfs/dbraw/zinc/64/05/82/585640582.db2.gz OBMNDRHZNMSISV-NSCUHMNNSA-N -1 1 210.204 2.264 20 0 BEADMM CCCC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773578248 585640676 /nfs/dbraw/zinc/64/06/76/585640676.db2.gz FOJWPOKRMFOQDA-UHFFFAOYSA-N -1 1 240.230 2.057 20 0 BEADMM O=C(OC/C=C/Cl)c1ccc([O-])cc1F ZINC000773576000 585640842 /nfs/dbraw/zinc/64/08/42/585640842.db2.gz ZSPHGCGFCBZFCK-DAFODLJHSA-N -1 1 230.622 2.441 20 0 BEADMM CC[C@H](OC(=O)c1cn[n-]n1)c1ccccc1 ZINC000805605960 585732809 /nfs/dbraw/zinc/73/28/09/585732809.db2.gz RYWMZZBGQNWTSJ-NSHDSACASA-N -1 1 231.255 2.113 20 0 BEADMM C[C@@H]1CCC[C@H](CCOC(=O)c2cn[n-]n2)C1 ZINC000805607994 585735358 /nfs/dbraw/zinc/73/53/58/585735358.db2.gz VYCUVIMIUKEIEH-NXEZZACHSA-N -1 1 237.303 2.178 20 0 BEADMM C[C@@H]1CCC[C@@H](CCOC(=O)c2cn[n-]n2)C1 ZINC000805607997 585735422 /nfs/dbraw/zinc/73/54/22/585735422.db2.gz VYCUVIMIUKEIEH-ZJUUUORDSA-N -1 1 237.303 2.178 20 0 BEADMM Cc1conc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789997344 585955735 /nfs/dbraw/zinc/95/57/35/585955735.db2.gz BRTDUDVVAAAIAI-UHFFFAOYSA-N -1 1 243.675 2.345 20 0 BEADMM CC1(F)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000792524603 586001146 /nfs/dbraw/zinc/00/11/46/586001146.db2.gz YETUVJQCPOKKIA-UHFFFAOYSA-N -1 1 243.665 2.230 20 0 BEADMM Cc1cc[nH]c1C(=O)Nc1c([O-])cccc1F ZINC000797959097 586134919 /nfs/dbraw/zinc/13/49/19/586134919.db2.gz YKUKELHJJQQHDH-UHFFFAOYSA-N -1 1 234.230 2.420 20 0 BEADMM CO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000798875082 586152306 /nfs/dbraw/zinc/15/23/06/586152306.db2.gz YEQUBKVHBDJMKS-ZETCQYMHSA-N -1 1 247.216 2.487 20 0 BEADMM CC1CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000801253271 586250253 /nfs/dbraw/zinc/25/02/53/586250253.db2.gz UNVVNNRFSKDFEF-UHFFFAOYSA-N -1 1 225.675 2.138 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C1CC[C@H](C)C1 ZINC000816740459 586761877 /nfs/dbraw/zinc/76/18/77/586761877.db2.gz DHGFDOVHEOESIK-QCCBYXMRSA-N -1 1 235.287 2.109 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1cccnc1 ZINC000816979098 586777285 /nfs/dbraw/zinc/77/72/85/586777285.db2.gz HWZILPMGCUBHJU-GHMZBOCLSA-N -1 1 236.315 2.279 20 0 BEADMM CC[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819951637 587005553 /nfs/dbraw/zinc/00/55/53/587005553.db2.gz RSIDORKHZWGYDD-QMMMGPOBSA-N -1 1 248.282 2.437 20 0 BEADMM CCCCC1(C(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC000820407247 587046742 /nfs/dbraw/zinc/04/67/42/587046742.db2.gz GSTXJTNNHOPVOE-UHFFFAOYSA-N -1 1 237.303 2.333 20 0 BEADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccc(O)c1 ZINC000820484840 587051119 /nfs/dbraw/zinc/05/11/19/587051119.db2.gz OUVUKKCPDBPIKF-SNVBAGLBSA-N -1 1 249.310 2.344 20 0 BEADMM CC[C@H](C)[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820861687 587077883 /nfs/dbraw/zinc/07/78/83/587077883.db2.gz NCZSJPVARZDWAS-IUCAKERBSA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@H](C)[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820861687 587077884 /nfs/dbraw/zinc/07/78/84/587077884.db2.gz NCZSJPVARZDWAS-IUCAKERBSA-N -1 1 246.318 2.108 20 0 BEADMM C[C@H](C(=O)[N-]OC1CCC1)c1cccc(O)c1 ZINC000821221672 587102396 /nfs/dbraw/zinc/10/23/96/587102396.db2.gz LHYVUBDUUIHWQB-VIFPVBQESA-N -1 1 235.283 2.096 20 0 BEADMM CC(C)CCSc1cccc(-c2nnn[n-]2)n1 ZINC000824249213 587262913 /nfs/dbraw/zinc/26/29/13/587262913.db2.gz KWEILJQFEMPJBZ-UHFFFAOYSA-N -1 1 249.343 2.400 20 0 BEADMM CC(C)CCSc1cccc(-c2nn[n-]n2)n1 ZINC000824249213 587262914 /nfs/dbraw/zinc/26/29/14/587262914.db2.gz KWEILJQFEMPJBZ-UHFFFAOYSA-N -1 1 249.343 2.400 20 0 BEADMM CC(C)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824274413 587264413 /nfs/dbraw/zinc/26/44/13/587264413.db2.gz HMXGWGAXRSMWAQ-UHFFFAOYSA-N -1 1 249.343 2.151 20 0 BEADMM CC(C)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824274413 587264415 /nfs/dbraw/zinc/26/44/15/587264415.db2.gz HMXGWGAXRSMWAQ-UHFFFAOYSA-N -1 1 249.343 2.151 20 0 BEADMM CCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825296269 587313148 /nfs/dbraw/zinc/31/31/48/587313148.db2.gz BFMVHOQILBNGKF-UHFFFAOYSA-N -1 1 236.250 2.185 20 0 BEADMM CCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825296269 587313150 /nfs/dbraw/zinc/31/31/50/587313150.db2.gz BFMVHOQILBNGKF-UHFFFAOYSA-N -1 1 236.250 2.185 20 0 BEADMM CCN(CCN[C@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000827151047 587371404 /nfs/dbraw/zinc/37/14/04/587371404.db2.gz SMNCQWPADPLVCX-SNVBAGLBSA-N -1 1 240.303 2.239 20 0 BEADMM O=C([N-][C@@H](CF)c1ccc(F)cc1)C(F)F ZINC000828098041 587419210 /nfs/dbraw/zinc/41/92/10/587419210.db2.gz QSZLJSPVPDFOQW-QMMMGPOBSA-N -1 1 235.180 2.218 20 0 BEADMM C[C@H]1C[C@H]1c1ccc(CNC(C)(C)C(=O)[O-])o1 ZINC000833606369 587723781 /nfs/dbraw/zinc/72/37/81/587723781.db2.gz ZFRPIPFRNRJMFU-WCBMZHEXSA-N -1 1 237.299 2.356 20 0 BEADMM O=C([O-])Nc1ccc(CN2C[C@@H]3CCC[C@H]32)cn1 ZINC000834258642 587750299 /nfs/dbraw/zinc/75/02/99/587750299.db2.gz ISJWPWYODSPDKO-WDEREUQCSA-N -1 1 247.298 2.156 20 0 BEADMM CCCO[N-]C(=O)[C@@H](C)c1cccc(F)c1 ZINC000844085032 588163025 /nfs/dbraw/zinc/16/30/25/588163025.db2.gz KETAAPFDLRANFL-VIFPVBQESA-N -1 1 225.263 2.387 20 0 BEADMM CCCO[N-]C(=O)[C@H](C)c1ccsc1 ZINC000844086520 588164477 /nfs/dbraw/zinc/16/44/77/588164477.db2.gz LZRUCLFNFIQBOR-MRVPVSSYSA-N -1 1 213.302 2.309 20 0 BEADMM CCCO[N-]C(=O)[C@H](C)c1ccccc1F ZINC000844086932 588164544 /nfs/dbraw/zinc/16/45/44/588164544.db2.gz RSRXDONYGFFOEB-SECBINFHSA-N -1 1 225.263 2.387 20 0 BEADMM CCCO[N-]C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000844087466 588165211 /nfs/dbraw/zinc/16/52/11/588165211.db2.gz SUZYDOSCFPKWMA-LBPRGKRZSA-N -1 1 249.310 2.270 20 0 BEADMM O=C(C[C@H]1OCc2ccccc21)[N-]OC1CCC1 ZINC000848161894 588362582 /nfs/dbraw/zinc/36/25/82/588362582.db2.gz DIKOUFWVDABRPE-CYBMUJFWSA-N -1 1 247.294 2.248 20 0 BEADMM c1cc(NC2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000095176884 599392161 /nfs/dbraw/zinc/39/21/61/599392161.db2.gz QKGDEVHGBYJPQH-UHFFFAOYSA-N -1 1 244.302 2.006 20 0 BEADMM c1cc(NC2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000095176884 599392164 /nfs/dbraw/zinc/39/21/64/599392164.db2.gz QKGDEVHGBYJPQH-UHFFFAOYSA-N -1 1 244.302 2.006 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@@H]2CCSC2)n1 ZINC000849890838 588507917 /nfs/dbraw/zinc/50/79/17/588507917.db2.gz BOZPKXLLZUEKAA-MRVPVSSYSA-N -1 1 242.369 2.342 20 0 BEADMM CCCCC[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000109040831 588514817 /nfs/dbraw/zinc/51/48/17/588514817.db2.gz FUZOYUVNKDGEQF-SNVBAGLBSA-N -1 1 236.315 2.486 20 0 BEADMM O=C([O-])CN(CC=C(Cl)Cl)C1CCC1 ZINC000852729490 588698644 /nfs/dbraw/zinc/69/86/44/588698644.db2.gz HEIBQZNKOHMOIB-UHFFFAOYSA-N -1 1 238.114 2.245 20 0 BEADMM CC(C)[C@@H](F)C(=O)Nc1cccc(F)c1[O-] ZINC000863007972 589251741 /nfs/dbraw/zinc/25/17/41/589251741.db2.gz CJAALASHBMECHP-SECBINFHSA-N -1 1 229.226 2.464 20 0 BEADMM O=C(/C=C/C1CC1)Nc1cccc(F)c1[O-] ZINC000863010711 589252063 /nfs/dbraw/zinc/25/20/63/589252063.db2.gz YPJMUQNNNHSAEH-VOTSOKGWSA-N -1 1 221.231 2.436 20 0 BEADMM CCCOCSc1nc(CC)cc(=O)[n-]1 ZINC000863323218 589279779 /nfs/dbraw/zinc/27/97/79/589279779.db2.gz HQWSKEINASEWJY-UHFFFAOYSA-N -1 1 228.317 2.221 20 0 BEADMM COCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373193 589427765 /nfs/dbraw/zinc/42/77/65/589427765.db2.gz JQWWNOUGMAVRFH-UHFFFAOYSA-N -1 1 226.301 2.064 20 0 BEADMM CC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(C)=O ZINC000871665344 589785228 /nfs/dbraw/zinc/78/52/28/589785228.db2.gz HOBGBROCJSLPFI-SECBINFHSA-N -1 1 240.328 2.259 20 0 BEADMM CCc1ccc(CN[C@@H](CC2CC2)C(=O)[O-])o1 ZINC000871882391 589827593 /nfs/dbraw/zinc/82/75/93/589827593.db2.gz HMBFTUGZOVJUOP-LBPRGKRZSA-N -1 1 237.299 2.185 20 0 BEADMM CCc1[n-]n(-c2ccccc2F)c(=O)c1F ZINC000871941734 589836220 /nfs/dbraw/zinc/83/62/20/589836220.db2.gz GQOHNYWGRVLYQQ-SNVBAGLBSA-N -1 1 224.210 2.276 20 0 BEADMM CCc1c(C(C)C)[n-]n(CC2CC2)c1=O ZINC000871943426 589836794 /nfs/dbraw/zinc/83/67/94/589836794.db2.gz IMZWTSLVXXZUDH-JTQLQIEISA-N -1 1 208.305 2.277 20 0 BEADMM CCc1[n-]n(Cc2ccccc2C)c(=O)c1F ZINC000871944018 589837835 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CC(C)=C(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001355034898 983397692 /nfs/dbraw/zinc/39/76/92/983397692.db2.gz SHSWCNGJMQPECE-UHFFFAOYSA-N -1 1 248.208 2.118 20 0 BEADMM COC(=O)c1cnccc1-c1ccc(F)cc1[O-] ZINC001242219608 983423179 /nfs/dbraw/zinc/42/31/79/983423179.db2.gz XHFMFIOUALJQNB-UHFFFAOYSA-N -1 1 247.225 2.380 20 0 BEADMM COc1cnc(-c2cccc(C)c2[O-])nc1C ZINC001242343287 983594962 /nfs/dbraw/zinc/59/49/62/983594962.db2.gz RBUHJOZHGUQVEW-UHFFFAOYSA-N -1 1 230.267 2.475 20 0 BEADMM [O-]c1c(F)cccc1-c1ccn2cnnc2c1 ZINC001242351285 983621021 /nfs/dbraw/zinc/62/10/21/983621021.db2.gz QNLVBLLJBZRPIE-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CC(C)n1ncc(-c2cccc(F)c2[O-])cc1=O ZINC001242352989 983628097 /nfs/dbraw/zinc/62/80/97/983628097.db2.gz JRQCRRBRMQFHDC-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001569219335 984023328 /nfs/dbraw/zinc/02/33/28/984023328.db2.gz VOWZBRRFKAXIFB-QWRGUYRKSA-N -1 1 248.326 2.343 20 0 BEADMM CCS(=O)(=O)[N-]c1cccc(C2CCC2)n1 ZINC001253290872 984078670 /nfs/dbraw/zinc/07/86/70/984078670.db2.gz VNDQVTHCLOYILM-UHFFFAOYSA-N -1 1 240.328 2.111 20 0 BEADMM CCCNC(=O)Nc1c(F)cc([O-])cc1F ZINC001202595969 984117789 /nfs/dbraw/zinc/11/77/89/984117789.db2.gz MXDBUQGDLSMLKD-UHFFFAOYSA-N -1 1 230.214 2.202 20 0 BEADMM NC(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242798671 984171174 /nfs/dbraw/zinc/17/11/74/984171174.db2.gz OXWZMCKEIJITNI-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM O=C([O-])c1ccccc1-c1cc2[nH]cnc2cn1 ZINC001242877659 984219351 /nfs/dbraw/zinc/21/93/51/984219351.db2.gz PHNWTABAONZHMA-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM CC1(C)CC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001545853777 984224137 /nfs/dbraw/zinc/22/41/37/984224137.db2.gz SWICZGFATOSMFN-SECBINFHSA-N -1 1 234.299 2.096 20 0 BEADMM CCOc1ncc([N-]c2nnc(C)o2)cc1F ZINC001212828050 984258876 /nfs/dbraw/zinc/25/88/76/984258876.db2.gz BEXXYHSQOCNJET-UHFFFAOYSA-N -1 1 238.222 2.054 20 0 BEADMM CN(C)c1nccnc1-c1ccc(F)c([O-])c1 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235.258 2.393 20 0 BEADMM [O-]c1cccnc1CN1CCCC(F)(F)C1 ZINC001138391749 990927006 /nfs/dbraw/zinc/92/70/06/990927006.db2.gz VTDKYPIBBYJAMY-UHFFFAOYSA-N -1 1 228.242 2.018 20 0 BEADMM CC(C)CCc1nnc(-c2ncccc2[O-])o1 ZINC001258265210 991196736 /nfs/dbraw/zinc/19/67/36/991196736.db2.gz WBDQMCPPJIKWML-UHFFFAOYSA-N -1 1 233.271 2.426 20 0 BEADMM C[C@@H]1CCN(Cc2ccncc2[O-])CC1(F)F ZINC001140273566 991581771 /nfs/dbraw/zinc/58/17/71/991581771.db2.gz NISOYUNCJGLKSB-SECBINFHSA-N -1 1 242.269 2.264 20 0 BEADMM O=C([O-])c1ccccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140498610 991653647 /nfs/dbraw/zinc/65/36/47/991653647.db2.gz CGOWIXXYTOSQQN-DRZSPHRISA-N -1 1 249.285 2.175 20 0 BEADMM CCO[N-]C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001319081977 991782545 /nfs/dbraw/zinc/78/25/45/991782545.db2.gz CAWFLQBDODWEJQ-SSDOTTSWSA-N -1 1 229.226 2.136 20 0 BEADMM O=S(=O)([N-]c1ccccn1)C1CCCCC1 ZINC001259808166 991991024 /nfs/dbraw/zinc/99/10/24/991991024.db2.gz ZNRKYICPIRQSRM-UHFFFAOYSA-N -1 1 240.328 2.156 20 0 BEADMM 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CCc1onc(C)c1C(=O)[N-]c1conc1C ZINC000640487458 361278824 /nfs/dbraw/zinc/27/88/24/361278824.db2.gz MCUXEEKCKLLDQM-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM Cc1nocc1[N-]C(=O)c1ocnc1C1CC1 ZINC000640487974 361281032 /nfs/dbraw/zinc/28/10/32/361281032.db2.gz SVKGNJHMQSJBPT-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM CCc1c(C)[n-]n(CC2CCCC2)c1=O ZINC000614190038 363749597 /nfs/dbraw/zinc/74/95/97/363749597.db2.gz QVGPCHSAFOAOFX-LLVKDONJSA-N -1 1 208.305 2.421 20 0 BEADMM CCC(C)(C)CNC(=O)c1ncc(C)cc1[O-] ZINC000430104380 201144305 /nfs/dbraw/zinc/14/43/05/201144305.db2.gz IKVSXULZHSIQFV-UHFFFAOYSA-N -1 1 236.315 2.262 20 0 BEADMM CC(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000153929828 201251930 /nfs/dbraw/zinc/25/19/30/201251930.db2.gz VOJKBJJVDCAWQJ-LLVKDONJSA-N -1 1 248.326 2.295 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1ccccc1O ZINC000436601322 201332395 /nfs/dbraw/zinc/33/23/95/201332395.db2.gz JUXYRLHEIUIPFC-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1c([O-])cccc1F ZINC000436821542 201339655 /nfs/dbraw/zinc/33/96/55/201339655.db2.gz LNKRESWQRKBNKM-IJBDUVHLSA-N -1 1 235.258 2.060 20 0 BEADMM CCC(C)(CC)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436696791 201332881 /nfs/dbraw/zinc/33/28/81/201332881.db2.gz HZCSGLBYGXFSML-UHFFFAOYSA-N -1 1 249.310 2.270 20 0 BEADMM CC(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630387660 364103619 /nfs/dbraw/zinc/10/36/19/364103619.db2.gz POWJOUHARLCUKO-UHFFFAOYSA-N -1 1 227.691 2.113 20 0 BEADMM O=C(c1cc2ccccc2cc1[O-])N1CCC1 ZINC000247851229 364625552 /nfs/dbraw/zinc/62/55/52/364625552.db2.gz HEZHLPLXOGUGKU-UHFFFAOYSA-N -1 1 227.263 2.391 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CCC[C@H]1C ZINC000615220606 364639010 /nfs/dbraw/zinc/63/90/10/364639010.db2.gz GMUQNXKOICNPJJ-VXNVDRBHSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCC(C)C ZINC000615220815 364639440 /nfs/dbraw/zinc/63/94/40/364639440.db2.gz WAQDSLYSBISONE-UHFFFAOYSA-N -1 1 225.292 2.189 20 0 BEADMM 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/nfs/dbraw/zinc/08/75/58/388087558.db2.gz TUZMNOKCVZUUNR-QMMMGPOBSA-N -1 1 226.345 2.471 20 0 BEADMM [O-]c1cccc(CN2CCO[C@H]3C[C@H]32)c1Cl ZINC000646206697 388164137 /nfs/dbraw/zinc/16/41/37/388164137.db2.gz MGQGEXCXCOMULP-KOLCDFICSA-N -1 1 239.702 2.019 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C)cc1C ZINC000646412425 388352617 /nfs/dbraw/zinc/35/26/17/388352617.db2.gz HVOZGPBLOXPLDY-UHFFFAOYSA-N -1 1 245.282 2.293 20 0 BEADMM Cc1nc(-c2nc3ccc(F)cc3c(=O)[n-]2)co1 ZINC000564196351 388378586 /nfs/dbraw/zinc/37/85/86/388378586.db2.gz YCULKGJTWSAECE-UHFFFAOYSA-N -1 1 245.213 2.438 20 0 BEADMM CC(C)C1(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000293947205 388393473 /nfs/dbraw/zinc/39/34/73/388393473.db2.gz OLUBKUCRPCEYCB-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM Cc1ccoc1CNC(=O)c1ccc([O-])cc1F ZINC000336147856 388456346 /nfs/dbraw/zinc/45/63/46/388456346.db2.gz BIXVYEYULNRUND-UHFFFAOYSA-N -1 1 249.241 2.363 20 0 BEADMM CC(C)c1cc(NC(=O)c2ccccc2[O-])n[nH]1 ZINC000078480360 388503126 /nfs/dbraw/zinc/50/31/26/388503126.db2.gz XZFGIVKEHAPYFZ-UHFFFAOYSA-N -1 1 245.282 2.491 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC1(F)F ZINC000648940488 388510060 /nfs/dbraw/zinc/51/00/60/388510060.db2.gz FYTGHEAKLDMTFF-RXMQYKEDSA-N -1 1 231.173 2.125 20 0 BEADMM COC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000530005884 388604006 /nfs/dbraw/zinc/60/40/06/388604006.db2.gz NGBRLNUYBJOFQW-UHFFFAOYSA-N -1 1 239.246 2.039 20 0 BEADMM CC(C)(O)CCC(=O)Nc1cccc(F)c1[O-] ZINC000530007094 388604107 /nfs/dbraw/zinc/60/41/07/388604107.db2.gz WGWLKVOMCDZXNW-UHFFFAOYSA-N -1 1 241.262 2.021 20 0 BEADMM O=C(Cn1ccnc1C1CC1)c1ccc([O-])cc1 ZINC000530131991 388615202 /nfs/dbraw/zinc/61/52/02/388615202.db2.gz RZCHGJYGPLVUGT-UHFFFAOYSA-N -1 1 242.278 2.349 20 0 BEADMM C[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C[C@@H](C)C1 ZINC000246857378 388653712 /nfs/dbraw/zinc/65/37/12/388653712.db2.gz IQRPGZIMFGGQIE-IAZYJMLFSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([O-])c(F)c1 ZINC000649123663 388841485 /nfs/dbraw/zinc/84/14/85/388841485.db2.gz RLVRBSKHRNTLLZ-UBHAPETDSA-N -1 1 249.285 2.450 20 0 BEADMM O=C([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000575488047 388879211 /nfs/dbraw/zinc/87/92/11/388879211.db2.gz IAPWLXWEXMVQLH-CSMHCCOUSA-N -1 1 221.222 2.101 20 0 BEADMM CN(Cc1cc(C(=O)[O-])co1)[C@@H]1CC1(C)C ZINC000565107587 388915072 /nfs/dbraw/zinc/91/50/72/388915072.db2.gz QISNAYSNGIKNBH-SNVBAGLBSA-N -1 1 223.272 2.208 20 0 BEADMM O=C(NCCCC1CCC1)c1ccc([O-])cn1 ZINC001645656908 1172683235 /nfs/dbraw/zinc/68/32/35/1172683235.db2.gz BJJZJULIYLVESL-UHFFFAOYSA-N -1 1 234.299 2.097 20 0 BEADMM Cc1cnc(C(=O)NC[C@]23C[C@H]2CCC3)c([O-])c1 ZINC001646209329 1172716683 /nfs/dbraw/zinc/71/66/83/1172716683.db2.gz PPWDSJOGXDECKK-YGRLFVJLSA-N -1 1 246.310 2.016 20 0 BEADMM Cc1cnc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000336106258 134082312 /nfs/dbraw/zinc/08/23/12/134082312.db2.gz ZHSMZOSAWZSLOY-QWRGUYRKSA-N -1 1 248.326 2.499 20 0 BEADMM Cc1cnc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000336106257 134082514 /nfs/dbraw/zinc/08/25/14/134082514.db2.gz ZHSMZOSAWZSLOY-PHIMTYICSA-N -1 1 248.326 2.499 20 0 BEADMM CC(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000336177442 134117450 /nfs/dbraw/zinc/11/74/50/134117450.db2.gz AYKDZNAPAPDPMB-LLVKDONJSA-N -1 1 248.326 2.295 20 0 BEADMM CN(CC1CCC1)C(=O)c1ccc([O-])cc1F ZINC000226269955 134362644 /nfs/dbraw/zinc/36/26/44/134362644.db2.gz SPSVLQMZZCVGGS-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H](C)C1 ZINC000251696268 135074381 /nfs/dbraw/zinc/07/43/81/135074381.db2.gz BAYOEWVEQGHOOV-URLYPYJESA-N -1 1 248.326 2.342 20 0 BEADMM O=C([N-][C@H]1C[C@H]1Cc1ccccc1)C(F)(F)F ZINC000265999157 135147020 /nfs/dbraw/zinc/14/70/20/135147020.db2.gz RPOAPQOZFGIDIY-ZJUUUORDSA-N -1 1 243.228 2.296 20 0 BEADMM CCCN(CC(=O)[O-])Cc1sc(C)nc1C ZINC000084149084 135187644 /nfs/dbraw/zinc/18/76/44/135187644.db2.gz HYLKIYAHLYVDNF-UHFFFAOYSA-N -1 1 242.344 2.057 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)c[nH]1 ZINC000334351774 135368874 /nfs/dbraw/zinc/36/88/74/135368874.db2.gz WPSYKEUOZCOPIS-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM CC(C)(CF)NC(=O)c1ccc([O-])cc1F ZINC000334863715 135826546 /nfs/dbraw/zinc/82/65/46/135826546.db2.gz OTVQUATVGLPKPM-UHFFFAOYSA-N -1 1 229.226 2.009 20 0 BEADMM CCCCc1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000334945823 135865311 /nfs/dbraw/zinc/86/53/11/135865311.db2.gz PPBCQOPRSVKEED-UHFFFAOYSA-N -1 1 236.246 2.110 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CCC12CCC2 ZINC000335384269 136088581 /nfs/dbraw/zinc/08/85/81/136088581.db2.gz LVLLQEUDVHVKAK-UHFFFAOYSA-N -1 1 235.258 2.300 20 0 BEADMM Cc1cnc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000655420630 410230124 /nfs/dbraw/zinc/23/01/24/410230124.db2.gz STKPDXUGUIFNDM-VWYCJHECSA-N -1 1 246.310 2.014 20 0 BEADMM CCc1cc(=O)n(-c2cccc(C)c2)[n-]1 ZINC000101753072 410795572 /nfs/dbraw/zinc/79/55/72/410795572.db2.gz GPYDJBHIUSRIEU-UHFFFAOYSA-N -1 1 202.257 2.498 20 0 BEADMM CC(C)[C@@H](C)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000153659315 167361339 /nfs/dbraw/zinc/36/13/39/167361339.db2.gz WTHWBOCARHJYSD-SNVBAGLBSA-N -1 1 248.326 2.436 20 0 BEADMM C[C@@H](C1CC1)n1[n-]c2c(c1=O)CCCC2 ZINC000104709137 410947709 /nfs/dbraw/zinc/94/77/09/410947709.db2.gz KSJTVAGSWNGNBL-WCBMZHEXSA-N -1 1 206.289 2.173 20 0 BEADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cncc([O-])c1 ZINC000652758350 411151828 /nfs/dbraw/zinc/15/18/28/411151828.db2.gz SEMQEDKLVFRTSS-JOYOIKCWSA-N -1 1 248.326 2.342 20 0 BEADMM Cc1cnc(C(=O)N2CCC23CCCC3)c([O-])c1 ZINC000652571455 411277604 /nfs/dbraw/zinc/27/76/04/411277604.db2.gz VKBAYRABTRDARL-UHFFFAOYSA-N -1 1 246.310 2.254 20 0 BEADMM Cc1ccnc(NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000656782137 411359993 /nfs/dbraw/zinc/35/99/93/411359993.db2.gz CRKNIWAPOHUUOY-NSHDSACASA-N -1 1 234.299 2.303 20 0 BEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000654307865 411370029 /nfs/dbraw/zinc/37/00/29/411370029.db2.gz GBTLAYZESNBMPE-WDSKDSINSA-N -1 1 227.210 2.265 20 0 BEADMM CC1(C)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000290315822 167987433 /nfs/dbraw/zinc/98/74/33/167987433.db2.gz JBIWYLLXDLRGQG-QMMMGPOBSA-N -1 1 241.237 2.199 20 0 BEADMM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000654402466 411389311 /nfs/dbraw/zinc/38/93/11/411389311.db2.gz VJNBBXFRALXDHS-QWRGUYRKSA-N -1 1 249.285 2.307 20 0 BEADMM CCC(C)(C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287982223 168278191 /nfs/dbraw/zinc/27/81/91/168278191.db2.gz HQIKLZSXUDVPKX-UHFFFAOYSA-N -1 1 249.310 2.127 20 0 BEADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000302581376 171050058 /nfs/dbraw/zinc/05/00/58/171050058.db2.gz RPJXPQRPSWBWHX-WDEREUQCSA-N -1 1 248.326 2.438 20 0 BEADMM CC[C@@H]1C[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228850571 171140109 /nfs/dbraw/zinc/14/01/09/171140109.db2.gz HRJMPHMDFLBQJB-VXNVDRBHSA-N -1 1 223.247 2.060 20 0 BEADMM CC[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000005155179 171356985 /nfs/dbraw/zinc/35/69/85/171356985.db2.gz LSOCAOCWYKIHBA-LURJTMIESA-N -1 1 212.318 2.277 20 0 BEADMM CCN1C(=O)N=NC1S[C@H](C)C(C)C ZINC000339119384 172146611 /nfs/dbraw/zinc/14/66/11/172146611.db2.gz QPDOZFYEEKKXTB-SSDOTTSWSA-N -1 1 215.322 2.140 20 0 BEADMM CN(C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000037760549 172348222 /nfs/dbraw/zinc/34/82/22/172348222.db2.gz QKYALJRJHZNZIP-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000019840482 172391139 /nfs/dbraw/zinc/39/11/39/172391139.db2.gz LQRAJJXQNMBVQV-UHFFFAOYSA-N -1 1 215.252 2.247 20 0 BEADMM COCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000268990578 174173991 /nfs/dbraw/zinc/17/39/91/174173991.db2.gz DRZDBPXYMLWLRE-UHFFFAOYSA-N -1 1 241.262 2.287 20 0 BEADMM COc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000109889272 175063451 /nfs/dbraw/zinc/06/34/51/175063451.db2.gz CQJYVRQJXNXIDP-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM C[C@@H](c1c(F)cccc1F)N(C)CCC(=O)[O-] ZINC000083662699 176012404 /nfs/dbraw/zinc/01/24/04/176012404.db2.gz YLFUSMLTVGQHMG-QMMMGPOBSA-N -1 1 243.253 2.432 20 0 BEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ncccc1[O-] ZINC000042610593 176085390 /nfs/dbraw/zinc/08/53/90/176085390.db2.gz XXDQBNJMSVTKIP-GHMZBOCLSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ncccc1[O-] ZINC000037760581 176115680 /nfs/dbraw/zinc/11/56/80/176115680.db2.gz GGWRZKRQBOLCFC-NXEZZACHSA-N -1 1 234.299 2.190 20 0 BEADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000111739294 176120670 /nfs/dbraw/zinc/12/06/70/176120670.db2.gz MSDHHOHASUPTFV-ZYHUDNBSSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000123379682 176130192 /nfs/dbraw/zinc/13/01/92/176130192.db2.gz RICBJSDGNONYTI-SCZZXKLOSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC000037760597 176143661 /nfs/dbraw/zinc/14/36/61/176143661.db2.gz CCSZDVDQIIKZNJ-MXWKQRLJSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)C[C@@H](C)C1 ZINC000119390395 176165706 /nfs/dbraw/zinc/16/57/06/176165706.db2.gz VRWCSBAAHSIIDH-MNOVXSKESA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263751370 176177442 /nfs/dbraw/zinc/17/74/42/176177442.db2.gz SSJSSBIPFPFBBM-MRVPVSSYSA-N -1 1 249.339 2.239 20 0 BEADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000088707583 176197685 /nfs/dbraw/zinc/19/76/85/176197685.db2.gz SAKLCXWZBSCFDQ-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000335801778 176266089 /nfs/dbraw/zinc/26/60/89/176266089.db2.gz WMEUXULNORKAIJ-VIFPVBQESA-N -1 1 234.299 2.048 20 0 BEADMM COC[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000674850783 487634763 /nfs/dbraw/zinc/63/47/63/487634763.db2.gz LBHDTEPHCKDXAN-QMMMGPOBSA-N -1 1 241.262 2.142 20 0 BEADMM C[C@H](c1c(F)cccc1F)N(C)CCC(=O)[O-] ZINC000083662700 177031428 /nfs/dbraw/zinc/03/14/28/177031428.db2.gz YLFUSMLTVGQHMG-MRVPVSSYSA-N -1 1 243.253 2.432 20 0 BEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ncccc1[O-] ZINC000042610592 177080523 /nfs/dbraw/zinc/08/05/23/177080523.db2.gz XXDQBNJMSVTKIP-QWRGUYRKSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC000050566604 177096333 /nfs/dbraw/zinc/09/63/33/177096333.db2.gz GZWSIRGALZWPJX-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CC[C@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000088707582 177198504 /nfs/dbraw/zinc/19/85/04/177198504.db2.gz SAKLCXWZBSCFDQ-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000309447019 177206813 /nfs/dbraw/zinc/20/68/13/177206813.db2.gz PSRHKMVQLFUHAW-IONNQARKSA-N -1 1 223.247 2.060 20 0 BEADMM CCC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681014222 487694957 /nfs/dbraw/zinc/69/49/57/487694957.db2.gz IEXXPGFNJKSUMT-MRVPVSSYSA-N -1 1 225.263 2.450 20 0 BEADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681024923 487699934 /nfs/dbraw/zinc/69/99/34/487699934.db2.gz NLCSYHLKNUMEDJ-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681041285 487704780 /nfs/dbraw/zinc/70/47/80/487704780.db2.gz FSYWGBIXVPMFPR-GZMMTYOYSA-N -1 1 237.274 2.450 20 0 BEADMM O=C(NCC1(C2CC2)CC1)c1ccc([O-])c(F)c1 ZINC000681059006 487708977 /nfs/dbraw/zinc/70/89/77/487708977.db2.gz UVDIIGMTWGMGMN-UHFFFAOYSA-N -1 1 249.285 2.451 20 0 BEADMM CC(C)C1CN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681058987 487709401 /nfs/dbraw/zinc/70/94/01/487709401.db2.gz UBUXUDMYGWAWAI-UHFFFAOYSA-N -1 1 237.274 2.259 20 0 BEADMM O=C(c1cncc([O-])c1)N1CC[C@H](C2CCC2)C1 ZINC000665680008 487724288 /nfs/dbraw/zinc/72/42/88/487724288.db2.gz AWOCEUSKGRLQHP-NSHDSACASA-N -1 1 246.310 2.049 20 0 BEADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684085031 487760721 /nfs/dbraw/zinc/76/07/21/487760721.db2.gz DDFSLRJKXALPFY-UHFFFAOYSA-N -1 1 223.247 2.013 20 0 BEADMM Cn1ccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000675708518 487768459 /nfs/dbraw/zinc/76/84/59/487768459.db2.gz XUSDWXSECIUOHI-UHFFFAOYSA-N -1 1 234.230 2.122 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672131516 487782331 /nfs/dbraw/zinc/78/23/31/487782331.db2.gz MECMKWRQCWASTM-GZMMTYOYSA-N -1 1 235.258 2.156 20 0 BEADMM CCC[C@H](CC)NC(=O)c1ncc(C)cc1[O-] ZINC000494844564 528104831 /nfs/dbraw/zinc/10/48/31/528104831.db2.gz IPPDIVGNIJOTEJ-JTQLQIEISA-N -1 1 236.315 2.404 20 0 BEADMM CO[C@@H](C)c1nc(=NC2CC(C)(C)C2)s[n-]1 ZINC000395177999 487841392 /nfs/dbraw/zinc/84/13/92/487841392.db2.gz LPVNAXVSOVLMHF-ZETCQYMHSA-N -1 1 241.360 2.268 20 0 BEADMM CCc1c(C)[n-]n(-c2cc(C)ccn2)c1=O ZINC000109252749 487855365 /nfs/dbraw/zinc/85/53/65/487855365.db2.gz OHCJUKIPMKAZKQ-SNVBAGLBSA-N -1 1 217.272 2.139 20 0 BEADMM Cc1[n-]n(CCCOc2ccccc2)c(=O)c1C ZINC000109351770 487862419 /nfs/dbraw/zinc/86/24/19/487862419.db2.gz DEASBJALTSFKLJ-LLVKDONJSA-N -1 1 246.310 2.310 20 0 BEADMM CO[C@H](C)c1nsc([N-]c2c[nH]nc2C)n1 ZINC000669822819 487864570 /nfs/dbraw/zinc/86/45/70/487864570.db2.gz SQFHXZOBUDEZIU-ZCFIWIBFSA-N -1 1 239.304 2.021 20 0 BEADMM Cc1cnc(SCCc2cccnc2)[n-]c1=O ZINC000569356779 322963656 /nfs/dbraw/zinc/96/36/56/322963656.db2.gz LQUOZGZUEGQOSA-UHFFFAOYSA-N -1 1 247.323 2.220 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2ccc(C)cc2F)c1[O-] ZINC000676706075 487896407 /nfs/dbraw/zinc/89/64/07/487896407.db2.gz BKWBIZUJNPZVOL-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM C[C@@H]1CC[C@@H](C)N1Cc1nc(C(=O)[O-])cs1 ZINC000570338395 323056958 /nfs/dbraw/zinc/05/69/58/323056958.db2.gz SRSBIVBCUPFVMB-HTQZYQBOSA-N -1 1 240.328 2.214 20 0 BEADMM C[C@H]1CC[C@H](C)N1Cc1nc(C(=O)[O-])cs1 ZINC000570338397 323057004 /nfs/dbraw/zinc/05/70/04/323057004.db2.gz SRSBIVBCUPFVMB-YUMQZZPRSA-N -1 1 240.328 2.214 20 0 BEADMM COCC[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000570464927 323060535 /nfs/dbraw/zinc/06/05/35/323060535.db2.gz WRWPQLNYGHLQBO-MRVPVSSYSA-N -1 1 228.317 2.008 20 0 BEADMM CCCCNC(=O)c1cc(F)ccc1[O-] ZINC000131792344 325184097 /nfs/dbraw/zinc/18/40/97/325184097.db2.gz DMJACVQFULEDIB-UHFFFAOYSA-N -1 1 211.236 2.061 20 0 BEADMM CC1(C)C[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000131931619 325192259 /nfs/dbraw/zinc/19/22/59/325192259.db2.gz CEGPWNJMTQFMFA-JTQLQIEISA-N -1 1 223.247 2.060 20 0 BEADMM CO[C@@H]1CCC[C@H]1Sc1ncc(C)c(=O)[n-]1 ZINC000565430709 325910536 /nfs/dbraw/zinc/91/05/36/325910536.db2.gz FNAPKKCVIVDVEP-RKDXNWHRSA-N -1 1 240.328 2.150 20 0 BEADMM C[C@@H](c1ccco1)N(C)C(=O)c1ncccc1[O-] ZINC000153553150 326101649 /nfs/dbraw/zinc/10/16/49/326101649.db2.gz LXSUSCPQGUOULP-VIFPVBQESA-N -1 1 246.266 2.213 20 0 BEADMM O=C(c1cncc([O-])c1)N1CC[C@@H](CC2CC2)C1 ZINC000567075346 326112192 /nfs/dbraw/zinc/11/21/92/326112192.db2.gz MWCQKGNCLRGPTK-NSHDSACASA-N -1 1 246.310 2.049 20 0 BEADMM Cc1noc(C)c1N(C)C(=O)c1ccccc1[O-] ZINC000673899765 487472301 /nfs/dbraw/zinc/47/23/01/487472301.db2.gz MRJWZUOUZMOWRJ-UHFFFAOYSA-N -1 1 246.266 2.274 20 0 BEADMM O=C(Nc1c([O-])cccc1F)c1nccs1 ZINC000683550507 488192571 /nfs/dbraw/zinc/19/25/71/488192571.db2.gz PENMIJCLEMGDNS-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1sccc1OC ZINC000650807083 488197750 /nfs/dbraw/zinc/19/77/50/488197750.db2.gz OFPXKVNIOANJSC-MRVPVSSYSA-N -1 1 243.328 2.052 20 0 BEADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc([O-])c(F)c1 ZINC000683888206 488235480 /nfs/dbraw/zinc/23/54/80/488235480.db2.gz KVKBGYKTJYNKAN-GDGBQDQQSA-N -1 1 235.258 2.060 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000678374744 488247985 /nfs/dbraw/zinc/24/79/85/488247985.db2.gz XVDFHMJHDADBMN-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000672345160 488252997 /nfs/dbraw/zinc/25/29/97/488252997.db2.gz WMPRTOLOSHQRRF-XCBNKYQSSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@H]1CC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000672345159 488253100 /nfs/dbraw/zinc/25/31/00/488253100.db2.gz WMPRTOLOSHQRRF-OIBJUYFYSA-N -1 1 223.247 2.060 20 0 BEADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000684758191 488340319 /nfs/dbraw/zinc/34/03/19/488340319.db2.gz XVJQXJZYTHINBQ-GXSJLCMTSA-N -1 1 235.258 2.060 20 0 BEADMM CCn1ccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000622467012 490216518 /nfs/dbraw/zinc/21/65/18/490216518.db2.gz DOHUAOHQJGDYTJ-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM CCN(Cc1ccoc1)C(=O)c1ncccc1[O-] ZINC000130934447 490463664 /nfs/dbraw/zinc/46/36/64/490463664.db2.gz XOJLOICQCLVSJA-UHFFFAOYSA-N -1 1 246.266 2.043 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1F ZINC000086803682 491062103 /nfs/dbraw/zinc/06/21/03/491062103.db2.gz JHEVPEPFOBDYHK-LLVKDONJSA-N -1 1 243.253 2.260 20 0 BEADMM CCC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000228834331 491106686 /nfs/dbraw/zinc/10/66/86/491106686.db2.gz NEVZKPNFSTVMHG-QMMMGPOBSA-N -1 1 225.263 2.450 20 0 BEADMM C[C@@H]1C[C@H]1COC(=O)c1c([O-])cc(F)cc1F ZINC000859525091 582489347 /nfs/dbraw/zinc/48/93/47/582489347.db2.gz BDSKWJIQIJPPFN-RQJHMYQMSA-N -1 1 242.221 2.483 20 0 BEADMM CC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000479529244 529257645 /nfs/dbraw/zinc/25/76/45/529257645.db2.gz HSTPGKGAMMOACI-XYPYZODXSA-N -1 1 248.326 2.486 20 0 BEADMM CCCC[C@@H](Nc1cc(C)ccn1)C(=O)[O-] ZINC000263555109 534938624 /nfs/dbraw/zinc/93/86/24/534938624.db2.gz NSCGRRIWTWCPAC-SNVBAGLBSA-N -1 1 222.288 2.445 20 0 BEADMM O=C([N-]Oc1ccccc1)C1CC2(CC2)C1 ZINC000854536394 588791222 /nfs/dbraw/zinc/79/12/22/588791222.db2.gz RFURFYVOPJWHHK-UHFFFAOYSA-N -1 1 217.268 2.287 20 0 BEADMM C[C@@H]1C[C@H](C(=O)[N-]Oc2ccccc2)CCC1=O ZINC000854537516 588791605 /nfs/dbraw/zinc/79/16/05/588791605.db2.gz VINNGJAXEUCWSY-GHMZBOCLSA-N -1 1 247.294 2.102 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)C(C)(F)F ZINC000854635756 588798738 /nfs/dbraw/zinc/79/87/38/588798738.db2.gz XHSAGKPXINGELS-UHFFFAOYSA-N -1 1 247.245 2.044 20 0 BEADMM CCCO[N-]C(=O)Cc1ccc(Cl)s1 ZINC000844088944 582570550 /nfs/dbraw/zinc/57/05/50/582570550.db2.gz WYNMZJCKVWXWSN-UHFFFAOYSA-N -1 1 233.720 2.402 20 0 BEADMM CC[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625719 582703159 /nfs/dbraw/zinc/70/31/59/582703159.db2.gz IWEJYCGDOAMDJP-QMMMGPOBSA-N -1 1 249.314 2.046 20 0 BEADMM O=C([N-]C[C@@H]1Cc2ccccc21)C(F)(F)F ZINC000112021906 583083674 /nfs/dbraw/zinc/08/36/74/583083674.db2.gz VBPMKTIXFVFVFS-QMMMGPOBSA-N -1 1 229.201 2.005 20 0 BEADMM CSCCNC(=O)c1c([O-])cccc1Cl ZINC000726194021 583341793 /nfs/dbraw/zinc/34/17/93/583341793.db2.gz SJWZTVVHXNXYKR-UHFFFAOYSA-N -1 1 245.731 2.138 20 0 BEADMM CCCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858308814 588943865 /nfs/dbraw/zinc/94/38/65/588943865.db2.gz RCLKDQRPLKZSHI-UHFFFAOYSA-N -1 1 215.684 2.438 20 0 BEADMM O=c1nc(NC2CCCC2)cc(Cl)[n-]1 ZINC000858310811 588943868 /nfs/dbraw/zinc/94/38/68/588943868.db2.gz XSBMYJFGRAYTRR-UHFFFAOYSA-N -1 1 213.668 2.190 20 0 BEADMM CCCN(CCC)c1cc(Cl)[n-]c(=O)n1 ZINC000858343190 588947807 /nfs/dbraw/zinc/94/78/07/588947807.db2.gz YPGKQXPNLKKDAI-UHFFFAOYSA-N -1 1 229.711 2.462 20 0 BEADMM CCN(c1cc(Cl)[n-]c(=O)n1)C(C)C ZINC000858356675 588948135 /nfs/dbraw/zinc/94/81/35/588948135.db2.gz BERVKHGLNAIGFF-UHFFFAOYSA-N -1 1 215.684 2.070 20 0 BEADMM C[C@@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858392500 588948484 /nfs/dbraw/zinc/94/84/84/588948484.db2.gz DZIRSYCAXPKFSG-RNFRBKRXSA-N -1 1 227.695 2.436 20 0 BEADMM CN(CC(C)(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858385795 588949986 /nfs/dbraw/zinc/94/99/86/588949986.db2.gz HABRDGKGSVGJII-UHFFFAOYSA-N -1 1 229.711 2.318 20 0 BEADMM O=c1nc(NCCCC2CC2)cc(Cl)[n-]1 ZINC000858416643 588952853 /nfs/dbraw/zinc/95/28/53/588952853.db2.gz YSVLYXKTPNXYKL-UHFFFAOYSA-N -1 1 227.695 2.438 20 0 BEADMM C[C@@H]1CC[C@H](C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858430066 588954044 /nfs/dbraw/zinc/95/40/44/588954044.db2.gz OSIQTYGLDIFPHT-JGVFFNPUSA-N -1 1 241.722 2.460 20 0 BEADMM CCC1(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858438281 588954882 /nfs/dbraw/zinc/95/48/82/588954882.db2.gz UNJBHGCVADRNTH-UHFFFAOYSA-N -1 1 227.695 2.438 20 0 BEADMM O=c1nc(N[C@H]2CCC(F)(F)C2)cc(Cl)[n-]1 ZINC000858445599 588955338 /nfs/dbraw/zinc/95/53/38/588955338.db2.gz AIXJSJHEYFOQAS-YFKPBYRVSA-N -1 1 249.648 2.435 20 0 BEADMM CCCN(CC1CC1)c1cc(Cl)[n-]c(=O)n1 ZINC000858453749 588956300 /nfs/dbraw/zinc/95/63/00/588956300.db2.gz PIELLOHBVQAMEI-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM C[C@H]1CCCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858485353 588959859 /nfs/dbraw/zinc/95/98/59/588959859.db2.gz LPXPSORTYHEXCE-QMMMGPOBSA-N -1 1 241.722 2.462 20 0 BEADMM CC[C@H]1[C@@H](C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858487720 588959976 /nfs/dbraw/zinc/95/99/76/588959976.db2.gz GYOWNUAJBJAJKH-YUMQZZPRSA-N -1 1 241.722 2.460 20 0 BEADMM Cc1[n-]n(-c2ncccc2C)c(=O)c1C(C)C ZINC000899353140 584200630 /nfs/dbraw/zinc/20/06/30/584200630.db2.gz UARFIOVQCVHRBV-NSHDSACASA-N -1 1 231.299 2.385 20 0 BEADMM CCC(CC)(NCc1ccc(OC)o1)C(=O)[O-] ZINC000900034909 584268088 /nfs/dbraw/zinc/26/80/88/584268088.db2.gz BTNMILOGJMXUEJ-UHFFFAOYSA-N -1 1 241.287 2.021 20 0 BEADMM O=c1nc(N2CCCC(F)(F)C2)cc(Cl)[n-]1 ZINC000858603733 588970736 /nfs/dbraw/zinc/97/07/36/588970736.db2.gz FJHURFDGBXAFDX-UHFFFAOYSA-N -1 1 249.648 2.071 20 0 BEADMM O=c1nc(N2C[C@@H]3CCCC[C@@H]32)cc(Cl)[n-]1 ZINC000858617025 588971510 /nfs/dbraw/zinc/97/15/10/588971510.db2.gz SKPKFHZUTOMZMI-YUMQZZPRSA-N -1 1 239.706 2.214 20 0 BEADMM CC1(C)C[C@@]1(C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858632564 588972420 /nfs/dbraw/zinc/97/24/20/588972420.db2.gz FOOHKDUVRJMBBO-SNVBAGLBSA-N -1 1 227.695 2.436 20 0 BEADMM O=c1nc(N2CC(CC3CC3)C2)cc(Cl)[n-]1 ZINC000858637442 588972512 /nfs/dbraw/zinc/97/25/12/588972512.db2.gz GURKEGAAPVBPJP-UHFFFAOYSA-N -1 1 239.706 2.072 20 0 BEADMM CCO[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000901530183 584459315 /nfs/dbraw/zinc/45/93/15/584459315.db2.gz IMEWJNNHBRIYPP-MRVPVSSYSA-N -1 1 228.317 2.274 20 0 BEADMM CC[C@@H](C)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000901681892 584480349 /nfs/dbraw/zinc/48/03/49/584480349.db2.gz NEKUPQHUMHHUPX-MWLCHTKSSA-N -1 1 225.288 2.259 20 0 BEADMM CCCCC[C@H](NCc1ccco1)C(=O)[O-] ZINC000901725127 584484936 /nfs/dbraw/zinc/48/49/36/584484936.db2.gz SJJUPVVSCOHZNV-NSHDSACASA-N -1 1 225.288 2.403 20 0 BEADMM CSc1ccc(CN(C)[C@@H](C)C(=O)[O-])s1 ZINC000901979472 584511347 /nfs/dbraw/zinc/51/13/47/584511347.db2.gz ITORUJUTMYZGET-ZETCQYMHSA-N -1 1 245.369 2.375 20 0 BEADMM C[N@@H+](CCCF)[C@@H](C(=O)[O-])c1ccccc1F ZINC000903625980 584787892 /nfs/dbraw/zinc/78/78/92/584787892.db2.gz WSYKDLOLHLQSLV-LLVKDONJSA-N -1 1 243.253 2.243 20 0 BEADMM CCC(CC)(NCc1cc(C)co1)C(=O)[O-] ZINC000904010132 584837405 /nfs/dbraw/zinc/83/74/05/584837405.db2.gz PKEYZCVKNILEOK-UHFFFAOYSA-N -1 1 225.288 2.321 20 0 BEADMM CC(C)c1ccc(CNC[C@H](F)C(=O)[O-])cc1 ZINC000904042349 584838298 /nfs/dbraw/zinc/83/82/98/584838298.db2.gz DAJFKWNMYZIBAR-LBPRGKRZSA-N -1 1 239.290 2.322 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccnc1 ZINC000816979101 584982181 /nfs/dbraw/zinc/98/21/81/584982181.db2.gz HWZILPMGCUBHJU-WDEREUQCSA-N -1 1 236.315 2.279 20 0 BEADMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000736112298 584989824 /nfs/dbraw/zinc/98/98/24/584989824.db2.gz VRPVOXQPRVNBSC-JIGDXULJSA-N -1 1 223.238 2.490 20 0 BEADMM O=C(CCC1CCC1)[N-]OCC(F)(F)F ZINC000766758558 585508037 /nfs/dbraw/zinc/50/80/37/585508037.db2.gz NFNBLIWTHPAPIB-UHFFFAOYSA-N -1 1 225.210 2.177 20 0 BEADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)C1CC1 ZINC000766764587 585508143 /nfs/dbraw/zinc/50/81/43/585508143.db2.gz GYKIVWPRYTXOAB-ZCFIWIBFSA-N -1 1 225.210 2.033 20 0 BEADMM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCC(F)(F)F ZINC000769456922 585557652 /nfs/dbraw/zinc/55/76/52/585557652.db2.gz GQVPAQPJHOPOSL-HTQZYQBOSA-N -1 1 239.237 2.423 20 0 BEADMM O=C(OCCC1CC1)c1ccc([O-])cc1F ZINC000773553006 585640472 /nfs/dbraw/zinc/64/04/72/585640472.db2.gz PKUFGCCHARCEGB-UHFFFAOYSA-N -1 1 224.231 2.488 20 0 BEADMM O=C(Nc1c[nH]nc1Cl)c1ccccc1[O-] ZINC000774226374 585654573 /nfs/dbraw/zinc/65/45/73/585654573.db2.gz DQEXHOYEMWTPPN-UHFFFAOYSA-N -1 1 237.646 2.021 20 0 BEADMM O=C(NOc1ccccc1)c1cc(F)ccc1[O-] ZINC000774276844 585655613 /nfs/dbraw/zinc/65/56/13/585655613.db2.gz UMTAMRQKPGDLAN-UHFFFAOYSA-N -1 1 247.225 2.255 20 0 BEADMM CCO[N-]C(=O)[C@H]1CCc2c1cccc2Cl ZINC000775652257 585682222 /nfs/dbraw/zinc/68/22/22/585682222.db2.gz WMALOQYHURODJO-JTQLQIEISA-N -1 1 239.702 2.438 20 0 BEADMM CC(C)[C@@H](F)C(=O)Nc1ccc(F)cc1[O-] ZINC000784455974 585860445 /nfs/dbraw/zinc/86/04/45/585860445.db2.gz OTOVXJCZWIRAHI-SNVBAGLBSA-N -1 1 229.226 2.464 20 0 BEADMM COCC[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000784515017 585862042 /nfs/dbraw/zinc/86/20/42/585862042.db2.gz BRSHUYMEYMHYAJ-QMMMGPOBSA-N -1 1 242.246 2.113 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc[nH]c1 ZINC000790055019 585956827 /nfs/dbraw/zinc/95/68/27/585956827.db2.gz AFWUQBHAHVEZCM-UHFFFAOYSA-N -1 1 237.646 2.021 20 0 BEADMM O=C(Cc1cccs1)[N-]OC/C=C/Cl ZINC000812399504 586575791 /nfs/dbraw/zinc/57/57/91/586575791.db2.gz PYKKBBRECOSHOG-DUXPYHPUSA-N -1 1 231.704 2.091 20 0 BEADMM Cc1nc(=NOCCOC(C)C)cc(Cl)[n-]1 ZINC000812489274 586577991 /nfs/dbraw/zinc/57/79/91/586577991.db2.gz WQTNZPQVVKRGNE-UHFFFAOYSA-N -1 1 245.710 2.207 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C1CC[C@@H](C)C1 ZINC000816740461 586761810 /nfs/dbraw/zinc/76/18/10/586761810.db2.gz DHGFDOVHEOESIK-WRDFDADTSA-N -1 1 235.287 2.109 20 0 BEADMM COc1cccc([C@H](C)C(=O)[N-]OCC2CC2)c1 ZINC000817333986 586796401 /nfs/dbraw/zinc/79/64/01/586796401.db2.gz AASFXOHPJHTVDX-JTQLQIEISA-N -1 1 249.310 2.257 20 0 BEADMM CCC1=C(C(=O)[N-]OCCC2CC2)CCCO1 ZINC000817416325 586802536 /nfs/dbraw/zinc/80/25/36/586802536.db2.gz AOYFKLKVTQXXSX-UHFFFAOYSA-N -1 1 239.315 2.309 20 0 BEADMM O=C(Cc1cccs1)[N-]OCCC1CC1 ZINC000817425533 586804436 /nfs/dbraw/zinc/80/44/36/586804436.db2.gz HELSRFYGSRRROJ-UHFFFAOYSA-N -1 1 225.313 2.139 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C(C1CC1)C1CC1 ZINC000820403465 587046723 /nfs/dbraw/zinc/04/67/23/587046723.db2.gz URCVKVFSAKQCCI-UHFFFAOYSA-N -1 1 247.298 2.109 20 0 BEADMM CN(CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000820569479 587055115 /nfs/dbraw/zinc/05/51/15/587055115.db2.gz RPXBEXZWAMXKRK-UHFFFAOYSA-N -1 1 235.308 2.418 20 0 BEADMM CN(C)[C@H](CNC(=O)[O-])c1ccc(Cl)cc1 ZINC000827994517 587415960 /nfs/dbraw/zinc/41/59/60/587415960.db2.gz LSBPRFPYOMRQKB-SNVBAGLBSA-N -1 1 242.706 2.210 20 0 BEADMM O=C([N-][C@H](CF)c1ccc(F)cc1)C(F)F ZINC000828098018 587419516 /nfs/dbraw/zinc/41/95/16/587419516.db2.gz QSZLJSPVPDFOQW-MRVPVSSYSA-N -1 1 235.180 2.218 20 0 BEADMM CN(CCNC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000828329424 587434182 /nfs/dbraw/zinc/43/41/82/587434182.db2.gz FUIAJVQCTQYQOT-UHFFFAOYSA-N -1 1 242.706 2.039 20 0 BEADMM CC[C@](C)(CC(=O)[O-])NCc1nc(C)c(C)o1 ZINC000828671147 587456621 /nfs/dbraw/zinc/45/66/21/587456621.db2.gz ASAXAMUENRSHJS-GFCCVEGCSA-N -1 1 240.303 2.024 20 0 BEADMM Cc1ccnc(NC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830611589 587559810 /nfs/dbraw/zinc/55/98/10/587559810.db2.gz MRNOPZBZZNTJJK-NSHDSACASA-N -1 1 249.314 2.192 20 0 BEADMM O=C([O-])NCCN1CCCC[C@H]1c1ccco1 ZINC000832641986 587672201 /nfs/dbraw/zinc/67/22/01/587672201.db2.gz RBGAGDFLFJIGES-JTQLQIEISA-N -1 1 238.287 2.074 20 0 BEADMM O=C([O-])NCCN1CCCC[C@@H]1c1ccco1 ZINC000832641987 587672461 /nfs/dbraw/zinc/67/24/61/587672461.db2.gz RBGAGDFLFJIGES-SNVBAGLBSA-N -1 1 238.287 2.074 20 0 BEADMM O=C([O-])[C@@]1(F)CCN(C/C=C/c2ccccc2)C1 ZINC000833174172 587700836 /nfs/dbraw/zinc/70/08/36/587700836.db2.gz CBVJHYBLPRPRHM-BTKRWWFXSA-N -1 1 249.285 2.198 20 0 BEADMM C/C(=C/CN1CCc2cccc(F)c2C1)C(=O)[O-] ZINC000833382714 587711856 /nfs/dbraw/zinc/71/18/56/587711856.db2.gz LDZPUZWKBXZRQC-YHYXMXQVSA-N -1 1 249.285 2.215 20 0 BEADMM C/C(=C/CN1CCc2c(F)cccc2C1)C(=O)[O-] ZINC000833385165 587712611 /nfs/dbraw/zinc/71/26/11/587712611.db2.gz SYWXNJROCYFBHA-YHYXMXQVSA-N -1 1 249.285 2.215 20 0 BEADMM CSCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833586 587768186 /nfs/dbraw/zinc/76/81/86/587768186.db2.gz DYFYYDIPBSOFMI-UHFFFAOYSA-N -1 1 245.731 2.025 20 0 BEADMM CCCO[N-]C(=O)[C@H](C)COc1ccccc1 ZINC000844085696 588163682 /nfs/dbraw/zinc/16/36/82/588163682.db2.gz JUJGECNPNIOGFE-LLVKDONJSA-N -1 1 237.299 2.159 20 0 BEADMM CCCO[N-]C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000844087465 588165261 /nfs/dbraw/zinc/16/52/61/588165261.db2.gz SUZYDOSCFPKWMA-GFCCVEGCSA-N -1 1 249.310 2.270 20 0 BEADMM CO[N-]C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000845154972 588222612 /nfs/dbraw/zinc/22/26/12/588222612.db2.gz GFZRXMVHFJTFTA-ZETCQYMHSA-N -1 1 213.664 2.121 20 0 BEADMM CCCCC[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000109040832 588514664 /nfs/dbraw/zinc/51/46/64/588514664.db2.gz FUZOYUVNKDGEQF-JTQLQIEISA-N -1 1 236.315 2.486 20 0 BEADMM CCN(Cc1cccnc1Cl)[C@H](C)C(=O)[O-] ZINC000852729937 588698670 /nfs/dbraw/zinc/69/86/70/588698670.db2.gz LZNCBHWHCQDNHF-MRVPVSSYSA-N -1 1 242.706 2.030 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCC=CO1 ZINC000863009150 589251639 /nfs/dbraw/zinc/25/16/39/589251639.db2.gz AZIWXEANCYRVNL-SNVBAGLBSA-N -1 1 237.230 2.163 20 0 BEADMM COC/C(C)=C/C(=O)Nc1cccc(F)c1[O-] ZINC000863008586 589251751 /nfs/dbraw/zinc/25/17/51/589251751.db2.gz XMLXQGPVYBWFIP-SOFGYWHQSA-N -1 1 239.246 2.063 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])C1=COCCC1 ZINC000863009767 589251809 /nfs/dbraw/zinc/25/18/09/589251809.db2.gz JWNGHVMCNBXUEH-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM C[C@H](C(=O)[N-]OCC1CCC1)c1ccncc1 ZINC000869305992 589597331 /nfs/dbraw/zinc/59/73/31/589597331.db2.gz WHORUTVSTJMKGG-JTQLQIEISA-N -1 1 234.299 2.033 20 0 BEADMM O=C(Cc1ccc([O-])c(Cl)c1)OCCF ZINC000869736733 589625776 /nfs/dbraw/zinc/62/57/76/589625776.db2.gz OONBCLJJHGSJGM-UHFFFAOYSA-N -1 1 232.638 2.101 20 0 BEADMM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1F ZINC000871940411 589834948 /nfs/dbraw/zinc/83/49/48/589834948.db2.gz IEHAUZVFOFPMEG-SNVBAGLBSA-N -1 1 224.210 2.276 20 0 BEADMM CCc1[n-]n(-c2ccccc2C)c(=O)c1F ZINC000871940943 589835723 /nfs/dbraw/zinc/83/57/23/589835723.db2.gz RKVOXKAWGCJTDA-LLVKDONJSA-N -1 1 220.247 2.446 20 0 BEADMM CCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1F ZINC000871946372 589838495 /nfs/dbraw/zinc/83/84/95/589838495.db2.gz AZQUJZZUAWGVET-NSHDSACASA-N -1 1 236.246 2.146 20 0 BEADMM C[C@@H]1CCc2[n-]n(-c3cccc(Cl)n3)c(=O)c21 ZINC000871951021 589840665 /nfs/dbraw/zinc/84/06/65/589840665.db2.gz NBUYXSYLJVRYLF-RDDDGLTNSA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(-c2cccnc2Cl)c(=O)c1F ZINC000871952788 589841584 /nfs/dbraw/zinc/84/15/84/589841584.db2.gz OYZCBTCDNPNNMF-MRVPVSSYSA-N -1 1 241.653 2.186 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953424 589841949 /nfs/dbraw/zinc/84/19/49/589841949.db2.gz PLSBCKPZEBINFC-CPCISQLKSA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(Cc2ccccc2F)c(=O)c1F ZINC000871954077 589842400 /nfs/dbraw/zinc/84/24/00/589842400.db2.gz KEUSGOOKYJKQLD-LLVKDONJSA-N -1 1 238.237 2.272 20 0 BEADMM Cc1cccnc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000871955889 589843180 /nfs/dbraw/zinc/84/31/80/589843180.db2.gz UMXKPMGPEZCANS-KCJUWKMLSA-N -1 1 229.283 2.139 20 0 BEADMM Cc1[n-]n(-c2cc(C)ccc2F)c(=O)c1F ZINC000871955938 589843616 /nfs/dbraw/zinc/84/36/16/589843616.db2.gz VVZXMFWSNBNPAR-SNVBAGLBSA-N -1 1 224.210 2.195 20 0 BEADMM CC[C@@H](OC(=O)c1ccc([O-])cc1F)C(C)=O ZINC000873376201 590033593 /nfs/dbraw/zinc/03/35/93/590033593.db2.gz VPWSRXASDAKIQO-LLVKDONJSA-N -1 1 240.230 2.056 20 0 BEADMM COc1ccsc1C=C1SC(=O)[N-]C1=O ZINC000874928783 590155988 /nfs/dbraw/zinc/15/59/88/590155988.db2.gz SUCNLIYSPFEITB-DAXSKMNVSA-N -1 1 241.293 2.081 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cc3cnccc3o2)S1 ZINC000874930053 590156134 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967891888 /nfs/dbraw/zinc/89/18/88/967891888.db2.gz PWTBNOCVKIAPAC-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM [O-]c1ccc(-c2ncc(CF)cn2)c(F)c1 ZINC001206044662 968010164 /nfs/dbraw/zinc/01/01/64/968010164.db2.gz RDVZTCSTDKOKGC-UHFFFAOYSA-N -1 1 222.194 2.458 20 0 BEADMM Cc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001250519385 968020897 /nfs/dbraw/zinc/02/08/97/968020897.db2.gz HKRVGKGTNXOZMH-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM NC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001250612887 968161237 /nfs/dbraw/zinc/16/12/37/968161237.db2.gz XIXXHLBQWBSGOM-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM O=C1Cc2cc(-c3cc(F)ccc3[O-])ncc2N1 ZINC001240693270 968645211 /nfs/dbraw/zinc/64/52/11/968645211.db2.gz KHSVQBIYJROSKS-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM COC(=O)c1ccncc1-c1ccc(F)cc1[O-] ZINC001242217522 969271975 /nfs/dbraw/zinc/27/19/75/969271975.db2.gz DLJCZSAWCHBYNJ-UHFFFAOYSA-N -1 1 247.225 2.380 20 0 BEADMM COc1cccc([O-])c1-c1nnc(C2CC2)o1 ZINC001254049209 969461510 /nfs/dbraw/zinc/46/15/10/969461510.db2.gz UXEPZRNTNVPOJT-UHFFFAOYSA-N -1 1 232.239 2.328 20 0 BEADMM [O-]c1ccc(-c2nnc(C3CC3)o2)c(F)c1 ZINC001254114818 969505981 /nfs/dbraw/zinc/50/59/81/969505981.db2.gz KRWMZAITIHDFEI-UHFFFAOYSA-N -1 1 220.203 2.459 20 0 BEADMM CCC/C=C/c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242252977 969634192 /nfs/dbraw/zinc/63/41/92/969634192.db2.gz NMZMYOGOLSXLIR-AATRIKPKSA-N -1 1 230.267 2.087 20 0 BEADMM C=Cc1cccc([N-]c2nonc2N)c1 ZINC001209914462 969684980 /nfs/dbraw/zinc/68/49/80/969684980.db2.gz FJHSKWIQFZCOAC-UHFFFAOYSA-N -1 1 202.217 2.038 20 0 BEADMM CCc1nnc(-c2c([O-])cccc2OC)o1 ZINC001255060593 969868570 /nfs/dbraw/zinc/86/85/70/969868570.db2.gz CICDYQPWNIOAAH-UHFFFAOYSA-N -1 1 220.228 2.013 20 0 BEADMM Cn1ccc(Nc2cc([O-])c(F)c(F)c2)n1 ZINC001210353212 969877521 /nfs/dbraw/zinc/87/75/21/969877521.db2.gz RSRDWCSDQUXMBA-UHFFFAOYSA-N -1 1 225.198 2.148 20 0 BEADMM CCc1ncccc1[N-]c1nonc1C ZINC001210464672 969894712 /nfs/dbraw/zinc/89/47/12/969894712.db2.gz IVXHOMBBAOXKKI-UHFFFAOYSA-N -1 1 204.233 2.079 20 0 BEADMM NC(=O)c1cccc(-c2cccc(F)c2[O-])c1F ZINC001242351244 969899382 /nfs/dbraw/zinc/89/93/82/969899382.db2.gz UOYYTVDHBJHCLH-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM [O-]c1c(F)cccc1-c1cnc(F)nc1 ZINC001242350257 969899421 /nfs/dbraw/zinc/89/94/21/969899421.db2.gz ABJKKLBPHWTWEC-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM O=C1Cc2c(cncc2-c2cccc(F)c2[O-])N1 ZINC001242352547 969901705 /nfs/dbraw/zinc/90/17/05/969901705.db2.gz YCMXQQGHEKXXAS-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM CCc1nnc(-c2cc([O-])cc(F)c2F)o1 ZINC001255138373 969948514 /nfs/dbraw/zinc/94/85/14/969948514.db2.gz XTNUCIQFCHZGIL-UHFFFAOYSA-N -1 1 226.182 2.283 20 0 BEADMM CSc1nc(Nc2ccc(C)cn2)cc(=O)[n-]1 ZINC001211006324 970110286 /nfs/dbraw/zinc/11/02/86/970110286.db2.gz MNRQPPPFFODMNV-UHFFFAOYSA-N -1 1 248.311 2.351 20 0 BEADMM COCc1cncc([N-]c2nonc2C2CC2)c1 ZINC001211080043 970140182 /nfs/dbraw/zinc/14/01/82/970140182.db2.gz GDTXEIHGAMDRMS-UHFFFAOYSA-N -1 1 246.270 2.232 20 0 BEADMM COCc1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243053954 970210606 /nfs/dbraw/zinc/21/06/06/970210606.db2.gz JQBZVJYNJQHKHT-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM [O-]c1cc(F)c(-c2cnc3nccn3c2)cc1F ZINC001211338289 970237026 /nfs/dbraw/zinc/23/70/26/970237026.db2.gz CAEJVJFKGYUCHH-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM [O-]c1cc(F)c(-c2cccc3nncn32)cc1F ZINC001211349319 970242778 /nfs/dbraw/zinc/24/27/78/970242778.db2.gz CXVIMQXXHVTEHE-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cc1cnn(-c2cc(F)c([O-])c(Cl)c2)c1N ZINC001214479921 970506583 /nfs/dbraw/zinc/50/65/83/970506583.db2.gz KNFGIYXKIGTZDV-UHFFFAOYSA-N -1 1 241.653 2.261 20 0 BEADMM CC(C)[C@@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223026633 972805280 /nfs/dbraw/zinc/80/52/80/972805280.db2.gz DKJWDPGKZDKGSL-GFCCVEGCSA-N -1 1 232.287 2.114 20 0 BEADMM CCCCC[C@@H](CC)OCc1nn[n-]n1 ZINC001223030310 972812015 /nfs/dbraw/zinc/81/20/15/972812015.db2.gz VRNPZJPWSTWDRT-SECBINFHSA-N -1 1 212.297 2.075 20 0 BEADMM [O-]c1cc(F)c(CN2C[C@@H](F)[C@H](F)C2)c(F)c1 ZINC001144541799 972860317 /nfs/dbraw/zinc/86/03/17/972860317.db2.gz LJISABPMEZTBLH-GHMZBOCLSA-N -1 1 249.207 2.162 20 0 BEADMM C[C@@H]1CCN1Cc1cc(F)c([O-])cc1F ZINC001144648797 972906035 /nfs/dbraw/zinc/90/60/35/972906035.db2.gz XKZBRXSSDYFSJV-SSDOTTSWSA-N -1 1 213.227 2.265 20 0 BEADMM CN(CCF)Cc1cc(F)c([O-])cc1F ZINC001144663747 972929252 /nfs/dbraw/zinc/92/92/52/972929252.db2.gz IJVCHJJYRIYQGG-UHFFFAOYSA-N -1 1 219.206 2.072 20 0 BEADMM O=C([O-])c1ccsc1CN1CCC[C@@H]1CF ZINC001144684953 972939264 /nfs/dbraw/zinc/93/92/64/972939264.db2.gz RIWTZPKUKGUQTM-MRVPVSSYSA-N -1 1 243.303 2.380 20 0 BEADMM CC[C@](C)(NC(=O)c1ncc(C)cc1[O-])C1CC1 ZINC001147809897 973761466 /nfs/dbraw/zinc/76/14/66/973761466.db2.gz KTUPIVIQBADWJO-AWEZNQCLSA-N -1 1 248.326 2.404 20 0 BEADMM O=c1nc(NC/C=C/C2CC2)cc(Cl)[n-]1 ZINC001329753500 973915932 /nfs/dbraw/zinc/91/59/32/973915932.db2.gz IFNJEULWRQZHIZ-OWOJBTEDSA-N -1 1 225.679 2.214 20 0 BEADMM O=[P@]([O-])(O)CCCCOC1CCCCC1 ZINC001225023252 974147608 /nfs/dbraw/zinc/14/76/08/974147608.db2.gz WKYCWNNIPZMREK-UHFFFAOYSA-N -1 1 236.248 2.294 20 0 BEADMM CO[C@H](C)COc1cc([O-])ccc1C(C)=O ZINC001225616296 974594170 /nfs/dbraw/zinc/59/41/70/974594170.db2.gz IAEGREWBKKXPTN-MRVPVSSYSA-N -1 1 224.256 2.009 20 0 BEADMM CC(=O)c1ccc([O-])cc1OC[C@H]1CCCO1 ZINC001225616339 974595159 /nfs/dbraw/zinc/59/51/59/974595159.db2.gz ITCQYERYVALXKT-LLVKDONJSA-N -1 1 236.267 2.153 20 0 BEADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCOC1 ZINC001225617194 974598218 /nfs/dbraw/zinc/59/82/18/974598218.db2.gz VNBIHBVTDVCBFE-NSHDSACASA-N -1 1 236.267 2.153 20 0 BEADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCCC1=O ZINC001225619470 974599673 /nfs/dbraw/zinc/59/96/73/974599673.db2.gz VXPLBNZJFJLRCI-CYBMUJFWSA-N -1 1 248.278 2.485 20 0 BEADMM CC(=O)c1c(O)cc([O-])cc1OC1CCC1 ZINC001225674190 974639849 /nfs/dbraw/zinc/63/98/49/974639849.db2.gz CZNOBISZDREVQQ-UHFFFAOYSA-N -1 1 222.240 2.232 20 0 BEADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)C1CCCC1 ZINC001225766030 974674051 /nfs/dbraw/zinc/67/40/51/974674051.db2.gz QUYWUVGYSXRWDL-SSDOTTSWSA-N -1 1 240.328 2.428 20 0 BEADMM CC[C@H](CC(C)C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001172390906 974738353 /nfs/dbraw/zinc/73/83/53/974738353.db2.gz ALWVXWDDAWJKLP-MRVPVSSYSA-N -1 1 249.318 2.295 20 0 BEADMM O=c1cc(OC2CC2)nc(-c2ccccc2)[n-]1 ZINC001226185217 974820658 /nfs/dbraw/zinc/82/06/58/974820658.db2.gz PUFDQHOMCUZEKP-UHFFFAOYSA-N -1 1 228.251 2.390 20 0 BEADMM CC(=O)c1c[n-]c(=O)nc1O[C@H](C)CC(C)C ZINC001226240787 974835538 /nfs/dbraw/zinc/83/55/38/974835538.db2.gz VGWLMEKHYRNROC-MRVPVSSYSA-N -1 1 238.287 2.198 20 0 BEADMM CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001331964868 974893048 /nfs/dbraw/zinc/89/30/48/974893048.db2.gz IHVSSFYVTUHSTM-UHFFFAOYSA-N -1 1 239.702 2.257 20 0 BEADMM Cc1coc(CN[C@H](CC2CCC2)C(=O)[O-])c1 ZINC001331982470 974904879 /nfs/dbraw/zinc/90/48/79/974904879.db2.gz JVNYIPISZRVTMZ-GFCCVEGCSA-N -1 1 237.299 2.321 20 0 BEADMM O=C(CC1CC1)Nc1cc([O-])c(F)cc1F ZINC001332176595 974992258 /nfs/dbraw/zinc/99/22/58/974992258.db2.gz WNBHPTMRFXTEGM-UHFFFAOYSA-N -1 1 227.210 2.409 20 0 BEADMM CCC[C@H](Oc1nc(=O)[n-]cc1OC)C(C)C ZINC001226823235 975099070 /nfs/dbraw/zinc/09/90/70/975099070.db2.gz SOZDYYOPKCMKDR-VIFPVBQESA-N -1 1 240.303 2.394 20 0 BEADMM CCCC[C@H](C)Oc1nc(=O)[n-]cc1OC ZINC001226821937 975100249 /nfs/dbraw/zinc/10/02/49/975100249.db2.gz HZIHBDUFHXFXHL-QMMMGPOBSA-N -1 1 226.276 2.148 20 0 BEADMM COc1c[n-]c(=O)nc1OC1CCCCCC1 ZINC001226823754 975104695 /nfs/dbraw/zinc/10/46/95/975104695.db2.gz WPFHINUMFMPIEE-UHFFFAOYSA-N -1 1 238.287 2.292 20 0 BEADMM CC[C@H](C)[C@@H](C)Oc1nc(=O)[n-]cc1OC ZINC001226828437 975108248 /nfs/dbraw/zinc/10/82/48/975108248.db2.gz QNHYZNAVTSIVAV-JGVFFNPUSA-N -1 1 226.276 2.004 20 0 BEADMM CCC[C@@H](Oc1cnc[n-]c1=O)C(C)C ZINC001227048249 975234474 /nfs/dbraw/zinc/23/44/74/975234474.db2.gz BDJPHVWQMFYPJD-SECBINFHSA-N -1 1 210.277 2.386 20 0 BEADMM CSc1nc(O[C@H]2CCC[C@@H]2C)cc(=O)[n-]1 ZINC001228091189 975903371 /nfs/dbraw/zinc/90/33/71/975903371.db2.gz WFUBHGPXPQQDOA-YUMQZZPRSA-N -1 1 240.328 2.472 20 0 BEADMM COc1cccc([N-]c2nnc(C)o2)c1OC ZINC001174013649 976183206 /nfs/dbraw/zinc/18/32/06/976183206.db2.gz DOZLQQYUBIWKLV-UHFFFAOYSA-N -1 1 235.243 2.139 20 0 BEADMM CSc1nc(Nc2cnccc2C)cc(=O)[n-]1 ZINC001174116566 976338384 /nfs/dbraw/zinc/33/83/84/976338384.db2.gz ZKVRZLVFALZYLG-UHFFFAOYSA-N -1 1 248.311 2.351 20 0 BEADMM O=c1ccn(-c2ccc(Nc3cn[nH]c3)cc2)[n-]1 ZINC001174299636 976490575 /nfs/dbraw/zinc/49/05/75/976490575.db2.gz JZFHZFHUGLLXCO-UHFFFAOYSA-N -1 1 241.254 2.045 20 0 BEADMM Cn1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001174332940 976544326 /nfs/dbraw/zinc/54/43/26/976544326.db2.gz YOMZSLILGOUTAU-UHFFFAOYSA-N -1 1 225.198 2.148 20 0 BEADMM Cc1ccc(O)c(C[N@H+](C)Cc2cncs2)n1 ZINC001231675735 977691522 /nfs/dbraw/zinc/69/15/22/977691522.db2.gz ZDJJYKTZQRVYPR-UHFFFAOYSA-N -1 1 249.339 2.184 20 0 BEADMM [O-]c1cc(CN2CCCO2)ccc1Cl ZINC001231732917 977715820 /nfs/dbraw/zinc/71/58/20/977715820.db2.gz JRSXGNQRQUBSKG-UHFFFAOYSA-N -1 1 213.664 2.183 20 0 BEADMM COC[C@@H]1CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231735453 977717877 /nfs/dbraw/zinc/71/78/77/977717877.db2.gz QWCCEIPSCHDFBY-JTQLQIEISA-N -1 1 241.718 2.266 20 0 BEADMM O=C1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733456 977721935 /nfs/dbraw/zinc/72/19/35/977721935.db2.gz UYDAZLUVKZMPNX-UHFFFAOYSA-N -1 1 239.702 2.211 20 0 BEADMM O=C([O-])c1ccnc(NCCCC(F)F)c1 ZINC001595264874 978008225 /nfs/dbraw/zinc/00/82/25/978008225.db2.gz BKUNFANNTAQFSN-UHFFFAOYSA-N -1 1 230.214 2.237 20 0 BEADMM COc1nonc1[N-]c1cc(O)cc(Cl)c1 ZINC001176621814 978140581 /nfs/dbraw/zinc/14/05/81/978140581.db2.gz KJXNDJFBQMCGLB-UHFFFAOYSA-N -1 1 241.634 2.181 20 0 BEADMM Cn1nccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664434 978149940 /nfs/dbraw/zinc/14/99/40/978149940.db2.gz ZOZBARLQNLQUOT-UHFFFAOYSA-N -1 1 243.188 2.287 20 0 BEADMM Cn1ccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176662175 978156563 /nfs/dbraw/zinc/15/65/63/978156563.db2.gz IJPMNIMWQNLATL-UHFFFAOYSA-N -1 1 243.188 2.287 20 0 BEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1F ZINC001178187132 978519248 /nfs/dbraw/zinc/51/92/48/978519248.db2.gz NCPYEQORUBCMPN-CZULRBLNSA-N -1 1 249.285 2.306 20 0 BEADMM Cc1noc([N-]Cc2nc(C(C)(C)C)co2)n1 ZINC001337994541 978584634 /nfs/dbraw/zinc/58/46/34/978584634.db2.gz NIKDJIRDNITCMP-UHFFFAOYSA-N -1 1 236.275 2.276 20 0 BEADMM Cc1ccccc1[C@H](Sc1c[nH]nn1)C(=O)[O-] ZINC001600574068 978704438 /nfs/dbraw/zinc/70/44/38/978704438.db2.gz OAZPDXMIPKICNC-JTQLQIEISA-N -1 1 249.295 2.031 20 0 BEADMM Cc1oc(C(=O)[O-])cc1CN1CC2(CCC2)C1 ZINC001600829145 978736958 /nfs/dbraw/zinc/73/69/58/978736958.db2.gz RQIYPQVJNUFJMF-UHFFFAOYSA-N -1 1 235.283 2.272 20 0 BEADMM Cc1oc(CN[C@H]2C[C@@H]2C(F)F)cc1C(=O)[O-] ZINC001600854286 978737469 /nfs/dbraw/zinc/73/74/69/978737469.db2.gz LIBSIUFHOFKWND-IUCAKERBSA-N -1 1 245.225 2.029 20 0 BEADMM COC(=O)c1cccc2[n-]c(OC(C)C)nc21 ZINC001234038255 978760100 /nfs/dbraw/zinc/76/01/00/978760100.db2.gz AEUKYZRNLRUFGA-UHFFFAOYSA-N -1 1 234.255 2.137 20 0 BEADMM COC(=O)c1cccc2nc(OC(C)C)[n-]c21 ZINC001234038255 978760102 /nfs/dbraw/zinc/76/01/02/978760102.db2.gz AEUKYZRNLRUFGA-UHFFFAOYSA-N -1 1 234.255 2.137 20 0 BEADMM CC[C@@H](F)C(=O)Nc1cc([O-])c(F)cc1F ZINC001339046418 978778290 /nfs/dbraw/zinc/77/82/90/978778290.db2.gz ZFQMJYAVTJHDHV-RXMQYKEDSA-N -1 1 233.189 2.357 20 0 BEADMM O=C([O-])CCCCCCNCc1cscn1 ZINC001339224679 978819204 /nfs/dbraw/zinc/81/92/04/978819204.db2.gz OQAYOAWPPPZJJF-UHFFFAOYSA-N -1 1 242.344 2.268 20 0 BEADMM C/C(=C/C(=O)[O-])CN1CCc2c(F)cccc2C1 ZINC001602958802 979341399 /nfs/dbraw/zinc/34/13/99/979341399.db2.gz YXIPQKKIFGCBQS-YFHOEESVSA-N -1 1 249.285 2.215 20 0 BEADMM C[C@H](C(=O)[O-])N(Cc1ccco1)C1CCC1 ZINC001603199273 979398884 /nfs/dbraw/zinc/39/88/84/979398884.db2.gz XMRJMHQIMCYOBJ-SECBINFHSA-N -1 1 223.272 2.107 20 0 BEADMM C[C@@H](Nc1ccc2cnccc2c1)C(=O)[O-] ZINC001603255828 979416792 /nfs/dbraw/zinc/41/67/92/979416792.db2.gz YWPQJTVGZATIPP-MRVPVSSYSA-N -1 1 216.240 2.120 20 0 BEADMM Cc1ccc(F)c(-c2cc(N)ccn2)c1[O-] ZINC001236389489 979575390 /nfs/dbraw/zinc/57/53/90/979575390.db2.gz FFNZVHDGHUWIMR-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM Cc1ccc(F)c(-c2ncccc2C(N)=O)c1[O-] ZINC001236391178 979576471 /nfs/dbraw/zinc/57/64/71/979576471.db2.gz LTDVPAONCUBXCH-UHFFFAOYSA-N -1 1 246.241 2.001 20 0 BEADMM COCc1ccc(-c2c(F)ccc(C)c2[O-])nn1 ZINC001236389429 979577034 /nfs/dbraw/zinc/57/70/34/979577034.db2.gz CPNVDPXWGGXIHS-UHFFFAOYSA-N -1 1 248.257 2.443 20 0 BEADMM COCc1cc(-c2c(F)ccc(C)c2[O-])ncn1 ZINC001236393406 979581591 /nfs/dbraw/zinc/58/15/91/979581591.db2.gz UGZWDTNRCLPXGF-UHFFFAOYSA-N -1 1 248.257 2.443 20 0 BEADMM CCC[C@@H](CC)Nc1cccnc1-c1nnn[n-]1 ZINC001604144185 979584882 /nfs/dbraw/zinc/58/48/82/979584882.db2.gz DWYVKDDOBXQAAY-SECBINFHSA-N -1 1 246.318 2.252 20 0 BEADMM CCC[C@@H](CC)Nc1cccnc1-c1nn[n-]n1 ZINC001604144185 979584888 /nfs/dbraw/zinc/58/48/88/979584888.db2.gz DWYVKDDOBXQAAY-SECBINFHSA-N -1 1 246.318 2.252 20 0 BEADMM C[C@H](N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C)C(F)F ZINC001604328563 979616842 /nfs/dbraw/zinc/61/68/42/979616842.db2.gz DMAYSFYUUKQOBO-RBXMUDONSA-N -1 1 235.274 2.119 20 0 BEADMM CC[C@H]1CCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170645 979822113 /nfs/dbraw/zinc/82/21/13/979822113.db2.gz CHCTWWWAWOLNQH-IUCAKERBSA-N -1 1 238.287 2.166 20 0 BEADMM CC[C@@H]1CCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170646 979822648 /nfs/dbraw/zinc/82/26/48/979822648.db2.gz CHCTWWWAWOLNQH-RKDXNWHRSA-N -1 1 238.287 2.166 20 0 BEADMM CC1=C(C)C[C@H](C(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001183563061 979844058 /nfs/dbraw/zinc/84/40/58/979844058.db2.gz QJISQYZLTYBROU-SECBINFHSA-N -1 1 235.287 2.190 20 0 BEADMM Cc1ccc(CN(C)Cc2c[nH]c(C(=O)[O-])c2)o1 ZINC001607777241 980127393 /nfs/dbraw/zinc/12/73/93/980127393.db2.gz KDLPXUFWPAAVKF-UHFFFAOYSA-N -1 1 248.282 2.246 20 0 BEADMM Cc1ccc(CN[C@@H](CF)C(=O)[O-])cc1Cl ZINC001607782703 980127840 /nfs/dbraw/zinc/12/78/40/980127840.db2.gz DPXAQPDYZPMWAO-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM Cc1oc(C(=O)[O-])cc1CNC(C)(C)CF ZINC001608037346 980155366 /nfs/dbraw/zinc/15/53/66/980155366.db2.gz SSSJSRZQSKVJQR-UHFFFAOYSA-N -1 1 229.251 2.124 20 0 BEADMM CC[C@H](N[C@@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595281587 980336367 /nfs/dbraw/zinc/33/63/67/980336367.db2.gz QZADLBHZFCYXFH-IUCAKERBSA-N -1 1 242.344 2.355 20 0 BEADMM CC/C=C/NC(=O)c1ccc([O-])c(F)c1 ZINC001186233275 980347252 /nfs/dbraw/zinc/34/72/52/980347252.db2.gz GWPUHFBJDLPEHL-ZZXKWVIFSA-N -1 1 209.220 2.185 20 0 BEADMM O=C(NCC1CC1)Nc1cc(F)c([O-])cc1F ZINC001186614408 980412972 /nfs/dbraw/zinc/41/29/72/980412972.db2.gz NINWOJHHICUUCR-UHFFFAOYSA-N -1 1 242.225 2.202 20 0 BEADMM Cc1c(N)ccnc1-c1ccc(C(=O)[O-])cc1F ZINC001239247512 980504379 /nfs/dbraw/zinc/50/43/79/980504379.db2.gz XOXSQJPXWDHEMG-UHFFFAOYSA-N -1 1 246.241 2.477 20 0 BEADMM Cc1ccc(C(C)C)c([O-])c1C(=O)NC#N ZINC001188181066 980612054 /nfs/dbraw/zinc/61/20/54/980612054.db2.gz FZTBGNUEPLPSCD-UHFFFAOYSA-N -1 1 218.256 2.035 20 0 BEADMM Cc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239503055 980669376 /nfs/dbraw/zinc/66/93/76/980669376.db2.gz VTKPUILHQMBPBO-UHFFFAOYSA-N -1 1 237.266 2.237 20 0 BEADMM Cc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239503055 980669378 /nfs/dbraw/zinc/66/93/78/980669378.db2.gz VTKPUILHQMBPBO-UHFFFAOYSA-N -1 1 237.266 2.237 20 0 BEADMM O=C(Nc1ccc[nH]1)c1cc([O-])cc(F)c1F ZINC001192661444 981183809 /nfs/dbraw/zinc/18/38/09/981183809.db2.gz XJTLNCRBJHFEOD-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM CC(C)OC(=O)Nc1ccc(F)cc1[O-] ZINC001193487246 981350074 /nfs/dbraw/zinc/35/00/74/981350074.db2.gz CBAASYDLGWDOHJ-UHFFFAOYSA-N -1 1 213.208 2.488 20 0 BEADMM COC(=O)Nc1ccc([O-])c(Br)c1 ZINC001193903026 981505487 /nfs/dbraw/zinc/50/54/87/981505487.db2.gz FEPQVYSWUMKMJK-UHFFFAOYSA-N -1 1 246.060 2.333 20 0 BEADMM CCCOC(=O)Nc1ccc(F)cc1[O-] ZINC001194118074 981560741 /nfs/dbraw/zinc/56/07/41/981560741.db2.gz JTTVIPNSCKFIEZ-UHFFFAOYSA-N -1 1 213.208 2.490 20 0 BEADMM [O-]c1ccc(F)cc1-c1cnc2[nH]ccc2n1 ZINC001240693227 981596837 /nfs/dbraw/zinc/59/68/37/981596837.db2.gz IBDGPKGRVMOYKK-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM CN(C)c1nccnc1-c1cc(F)ccc1[O-] ZINC001240693075 981597017 /nfs/dbraw/zinc/59/70/17/981597017.db2.gz BEXOTSBRURFBGT-UHFFFAOYSA-N -1 1 233.246 2.054 20 0 BEADMM COCc1nccnc1-c1cc(F)ccc1[O-] ZINC001240693197 981597677 /nfs/dbraw/zinc/59/76/77/981597677.db2.gz GGGOLJXPTZEPDR-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM O=C1Cc2ccnc(-c3cc(F)ccc3[O-])c2N1 ZINC001240693879 981601006 /nfs/dbraw/zinc/60/10/06/981601006.db2.gz KRBAJDUZEZHCJV-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM Cn1cnc2ccc(-c3cc(F)ccc3[O-])nc21 ZINC001240693427 981602762 /nfs/dbraw/zinc/60/27/62/981602762.db2.gz QYZLGDCMMGCIGP-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1ccc(F)cc1-c1cn2ccnc2cn1 ZINC001240696797 981606861 /nfs/dbraw/zinc/60/68/61/981606861.db2.gz PUSMKQIVIPWVJG-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM [O-]c1ccc(F)cc1-c1ncnn2cccc12 ZINC001240698236 981613140 /nfs/dbraw/zinc/61/31/40/981613140.db2.gz KNXPHWVAINGNAH-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]2C[C@H]21 ZINC001583296981 981811044 /nfs/dbraw/zinc/81/10/44/981811044.db2.gz HQODBKSSSUCXIA-WCBMZHEXSA-N -1 1 235.258 2.156 20 0 BEADMM CCOc1nccc(-c2ccc([O-])c(F)c2)n1 ZINC001240781611 981819364 /nfs/dbraw/zinc/81/93/64/981819364.db2.gz BTHOBQYMVCJDGT-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM Nc1cnc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240782171 981819808 /nfs/dbraw/zinc/81/98/08/981819808.db2.gz SPSQCHNBVLXDAJ-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM CCc1cccc2cc(CNCC(=O)[O-])oc21 ZINC001350000488 981843185 /nfs/dbraw/zinc/84/31/85/981843185.db2.gz JJMWSWLTHHTRON-UHFFFAOYSA-N -1 1 233.267 2.169 20 0 BEADMM CCSCCSc1ncc(C)c(=O)[n-]1 ZINC001350118686 981875607 /nfs/dbraw/zinc/87/56/07/981875607.db2.gz KJOBLKRGNDJVFL-UHFFFAOYSA-N -1 1 230.358 2.336 20 0 BEADMM CC1(C)C[C@@H]1CNC(=O)c1cccc([O-])c1F ZINC001585740308 981945676 /nfs/dbraw/zinc/94/56/76/981945676.db2.gz IRYFIXUNHOUPIM-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM CC1(C)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001586600687 982005622 /nfs/dbraw/zinc/00/56/22/982005622.db2.gz DYFUVCPTTNBESY-UHFFFAOYSA-N -1 1 223.247 2.156 20 0 BEADMM O=C(Nc1ccsc1)c1ccc([O-])cn1 ZINC001586750475 982018838 /nfs/dbraw/zinc/01/88/38/982018838.db2.gz CJROONPPFYTIFW-UHFFFAOYSA-N -1 1 220.253 2.101 20 0 BEADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([O-])cn1 ZINC001587142100 982053131 /nfs/dbraw/zinc/05/31/31/982053131.db2.gz STUKYSPBRHZONF-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([O-])cn1 ZINC001587142203 982053304 /nfs/dbraw/zinc/05/33/04/982053304.db2.gz STUKYSPBRHZONF-ZJUUUORDSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1ccc([O-])c(C(=O)N(CC2CC2)C(C)C)n1 ZINC001195323882 982175103 /nfs/dbraw/zinc/17/51/03/982175103.db2.gz MASDHDVHHIESOI-UHFFFAOYSA-N -1 1 248.326 2.356 20 0 BEADMM Cc1ccc([O-])c(C(=O)N2CCC23CCCC3)n1 ZINC001195321572 982178573 /nfs/dbraw/zinc/17/85/73/982178573.db2.gz FXUDVTBAWCCQAZ-UHFFFAOYSA-N -1 1 246.310 2.254 20 0 BEADMM CN(C(=O)c1cc([O-])cnc1Cl)C(C)(C)C ZINC001195305748 982187573 /nfs/dbraw/zinc/18/75/73/982187573.db2.gz OIJZQPZTPHRIMM-UHFFFAOYSA-N -1 1 242.706 2.311 20 0 BEADMM Cc1cc(-c2c(F)cc([O-])cc2F)n(C)n1 ZINC001241120329 982245360 /nfs/dbraw/zinc/24/53/60/982245360.db2.gz ZUXHYMDAIFQTAE-UHFFFAOYSA-N -1 1 224.210 2.379 20 0 BEADMM [O-]c1cc(F)c(-c2ccc3nccn3n2)c(F)c1 ZINC001241121667 982248213 /nfs/dbraw/zinc/24/82/13/982248213.db2.gz AHUHTDDSBUDCRQ-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cc1nc(-c2cc([O-])cc(F)c2)ncc1F ZINC001241255689 982392815 /nfs/dbraw/zinc/39/28/15/982392815.db2.gz AGGNNOVRLCZRLM-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM [O-]c1ccc(F)c(-c2cn3ccnc3cn2)c1F ZINC001241292880 982432266 /nfs/dbraw/zinc/43/22/66/982432266.db2.gz LLPNJKOWEHNJGX-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM [O-]c1ccc(F)c(-c2nccn3ccnc23)c1F ZINC001241293320 982435136 /nfs/dbraw/zinc/43/51/36/982435136.db2.gz SHQGVVQLPLEXRM-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM C[C@H]1CCc2[n-]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086275 982461254 /nfs/dbraw/zinc/46/12/54/982461254.db2.gz ZELZOPHDVBIPTM-CMPLNLGQSA-N -1 1 243.310 2.216 20 0 BEADMM O=C([O-])c1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001241359394 982516033 /nfs/dbraw/zinc/51/60/33/982516033.db2.gz ONTCGJKUTODDMJ-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM O=C([O-])c1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001241359394 982516037 /nfs/dbraw/zinc/51/60/37/982516037.db2.gz ONTCGJKUTODDMJ-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM C=CS(=O)(=O)[N-]c1cccc2cccnc21 ZINC001198556526 982779014 /nfs/dbraw/zinc/77/90/14/982779014.db2.gz VEHWNBFUIAEPSN-UHFFFAOYSA-N -1 1 234.280 2.120 20 0 BEADMM CC[C@@H](C)CSc1cccnc1-c1nnn[n-]1 ZINC001590408020 982933709 /nfs/dbraw/zinc/93/37/09/982933709.db2.gz BOCGQGCFVPLIHZ-MRVPVSSYSA-N -1 1 249.343 2.400 20 0 BEADMM CC[C@@H](C)CSc1cccnc1-c1nn[n-]n1 ZINC001590408020 982933721 /nfs/dbraw/zinc/93/37/21/982933721.db2.gz BOCGQGCFVPLIHZ-MRVPVSSYSA-N -1 1 249.343 2.400 20 0 BEADMM CC[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001590411393 982942509 /nfs/dbraw/zinc/94/25/09/982942509.db2.gz XBQHNVGUVHCHTF-SECBINFHSA-N -1 1 246.318 2.110 20 0 BEADMM CC[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001590411393 982942521 /nfs/dbraw/zinc/94/25/21/982942521.db2.gz XBQHNVGUVHCHTF-SECBINFHSA-N -1 1 246.318 2.110 20 0 BEADMM O=C([O-])c1cncc(-c2nccc3[nH]ccc32)c1 ZINC001241798542 983054438 /nfs/dbraw/zinc/05/44/38/983054438.db2.gz XHQAULHTKJZFEC-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM [O-]c1cc(F)c(NC(=S)NC2CC2)cc1F ZINC001200634505 983286759 /nfs/dbraw/zinc/28/67/59/983286759.db2.gz XJBJVTMUQRRRSH-UHFFFAOYSA-N -1 1 244.266 2.119 20 0 BEADMM [O-]c1cc(F)ccc1-c1nccc2[nH]cnc21 ZINC001242217129 983415428 /nfs/dbraw/zinc/41/54/28/983415428.db2.gz RFWQXQWMXAKOTE-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM [O-]c1cc(F)ccc1-c1cccn2cnnc12 ZINC001242220738 983424068 /nfs/dbraw/zinc/42/40/68/983424068.db2.gz NUQRCRMWEIUMBV-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM O=C([O-])c1ccc(-c2cc3[nH]ccc3cn2)cn1 ZINC001242334657 983575905 /nfs/dbraw/zinc/57/59/05/983575905.db2.gz RJVCOLBOXSCFNV-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM O=C([O-])c1ccc(-c2cccc3cncn32)cn1 ZINC001242337078 983581372 /nfs/dbraw/zinc/58/13/72/983581372.db2.gz XMHXDTWGFPYHJD-UHFFFAOYSA-N -1 1 239.234 2.095 20 0 BEADMM NC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242797819 984166085 /nfs/dbraw/zinc/16/60/85/984166085.db2.gz NHDKHIIAYORUTB-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM O=C([O-])c1ccccc1-c1nccc2[nH]cnc21 ZINC001242878400 984219184 /nfs/dbraw/zinc/21/91/84/984219184.db2.gz XYIUFVNLIBRYHX-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM C=C(c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001242892992 984235948 /nfs/dbraw/zinc/23/59/48/984235948.db2.gz IQWAJKXPNSZXEA-UHFFFAOYSA-N -1 1 249.277 2.323 20 0 BEADMM C=C(c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001242892992 984235972 /nfs/dbraw/zinc/23/59/72/984235972.db2.gz IQWAJKXPNSZXEA-UHFFFAOYSA-N -1 1 249.277 2.323 20 0 BEADMM CC(C)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001440519411 984425507 /nfs/dbraw/zinc/42/55/07/984425507.db2.gz ORAZYCKBWBYHNW-UHFFFAOYSA-N -1 1 248.257 2.218 20 0 BEADMM O=C(c1cccc([O-])c1F)N1C2CCC1CC2 ZINC001440885966 984438201 /nfs/dbraw/zinc/43/82/01/984438201.db2.gz VQFXTTJDTDMSOT-UHFFFAOYSA-N -1 1 235.258 2.298 20 0 BEADMM O=C(NCC1CCCC1)c1ccc(F)c([O-])c1 ZINC001441242883 984471998 /nfs/dbraw/zinc/47/19/98/984471998.db2.gz CCTWYOPDIBOHCR-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)c1cc2ccccc2o1 ZINC001457823103 984828559 /nfs/dbraw/zinc/82/85/59/984828559.db2.gz NJDMDFISACRVIX-UHFFFAOYSA-N -1 1 243.222 2.114 20 0 BEADMM Cc1cncnc1-c1ccc([O-])c(F)c1F ZINC001243337745 984829782 /nfs/dbraw/zinc/82/97/82/984829782.db2.gz BIBINYBBYBEXMN-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM Nc1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243337752 984830042 /nfs/dbraw/zinc/83/00/42/984830042.db2.gz CGQIVQPRLCXPEL-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM Nc1cncc(F)c1-c1ccc([O-])c(F)c1F ZINC001243342157 984832421 /nfs/dbraw/zinc/83/24/21/984832421.db2.gz JLZRNXPTUOQIPN-UHFFFAOYSA-N -1 1 240.184 2.454 20 0 BEADMM Nc1cncc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243501867 985055766 /nfs/dbraw/zinc/05/57/66/985055766.db2.gz FCGHLPKDHCEXRH-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM Cc1cnc(C(=O)NC2CCC=CCC2)c([O-])c1 ZINC001455894993 985099312 /nfs/dbraw/zinc/09/93/12/985099312.db2.gz FSABJFCKYDVPAP-UHFFFAOYSA-N -1 1 246.310 2.324 20 0 BEADMM Cc1nsc([N-]C(=O)c2ccc(F)s2)n1 ZINC001457067101 985186428 /nfs/dbraw/zinc/18/64/28/985186428.db2.gz UGKUJUVWIDHVBY-UHFFFAOYSA-N -1 1 243.288 2.299 20 0 BEADMM Cn1ccc(-c2cc(F)c([O-])c(F)c2)cc1=O ZINC001244095998 985807012 /nfs/dbraw/zinc/80/70/12/985807012.db2.gz GPVDXMZFGWCUEP-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM [O-]c1c(F)cc(-c2ccc3ncnn3c2)cc1F ZINC001244096010 985808917 /nfs/dbraw/zinc/80/89/17/985808917.db2.gz HGDDXJICPVESOT-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cc1[nH]c(CN2CC(CC3CC3)C2)cc1C(=O)[O-] ZINC001599962413 985812676 /nfs/dbraw/zinc/81/26/76/985812676.db2.gz PPUBZZIRJFUAIM-UHFFFAOYSA-N -1 1 248.326 2.253 20 0 BEADMM Cn1cncc1-c1cc(F)c([O-])c(F)c1 ZINC001244097677 985813229 /nfs/dbraw/zinc/81/32/29/985813229.db2.gz YKPWDSCQLOBLFL-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Cc1[nH]c(CN2CCC2(C)C)cc1C(=O)[O-] ZINC001599962878 985826680 /nfs/dbraw/zinc/82/66/80/985826680.db2.gz MONCBHGGFHPILH-UHFFFAOYSA-N -1 1 222.288 2.006 20 0 BEADMM CCCNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001244889539 986420308 /nfs/dbraw/zinc/42/03/08/986420308.db2.gz BSUOIKILLSTYPL-UHFFFAOYSA-N -1 1 246.282 2.367 20 0 BEADMM [O-]c1ccc(F)cc1-c1nnc(C2CC2)o1 ZINC001254115289 986513966 /nfs/dbraw/zinc/51/39/66/986513966.db2.gz YZVBTHZQOHFFSF-UHFFFAOYSA-N -1 1 220.203 2.459 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)[C@H]1C ZINC001465389026 986712989 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992068601 /nfs/dbraw/zinc/06/86/01/992068601.db2.gz RQFKKJKGMYHATO-ZETCQYMHSA-N -1 1 241.303 2.097 20 0 BEADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(C)cc(F)n1 ZINC001260729206 992143280 /nfs/dbraw/zinc/14/32/80/992143280.db2.gz XMKTVZVENMRXSC-QMMMGPOBSA-N -1 1 246.307 2.069 20 0 BEADMM C[C@H]1CC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001568749367 992211931 /nfs/dbraw/zinc/21/19/31/992211931.db2.gz AVGMORGHOWAJOP-OIBJUYFYSA-N -1 1 223.247 2.060 20 0 BEADMM CC(C)CN(C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591287449 992230328 /nfs/dbraw/zinc/23/03/28/992230328.db2.gz SLEFEURZXOLPGT-MRVPVSSYSA-N -1 1 226.276 2.022 20 0 BEADMM CC[C@@H](F)C(=O)Nc1ccc([O-])c(F)c1F ZINC001262628525 992981764 /nfs/dbraw/zinc/98/17/64/992981764.db2.gz XSJKXPZCTZNSSH-RXMQYKEDSA-N -1 1 233.189 2.357 20 0 BEADMM Cc1cnc(SCCCCCCO)[n-]c1=O ZINC000381317467 993385704 /nfs/dbraw/zinc/38/57/04/993385704.db2.gz UEVPMCCHEAZIFB-UHFFFAOYSA-N -1 1 242.344 2.135 20 0 BEADMM Cc1cc(NC(=O)c2cccc([O-])c2F)no1 ZINC001290349045 994534127 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/nfs/dbraw/zinc/79/85/91/487798591.db2.gz QWEHCQXUHQOYJA-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC000681058232 487804916 /nfs/dbraw/zinc/80/49/16/487804916.db2.gz KRPMUGKYHKDMKM-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CC[C@@H](C(=O)[O-])N(C)Cc1csc(C)c1 ZINC000379786295 488151834 /nfs/dbraw/zinc/15/18/34/488151834.db2.gz HYAMQAZSMCOPRR-JTQLQIEISA-N -1 1 227.329 2.352 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@H]2CCCOC2)n1 ZINC000683454379 488164831 /nfs/dbraw/zinc/16/48/31/488164831.db2.gz KCEMBYHRLHAQJN-VIFPVBQESA-N -1 1 240.328 2.016 20 0 BEADMM Cc1nc(C(=O)Nc2ncccc2[O-])sc1C ZINC000683531706 488188908 /nfs/dbraw/zinc/18/89/08/488188908.db2.gz JICVSFYJDROWTI-UHFFFAOYSA-N -1 1 249.295 2.113 20 0 BEADMM CCc1onc(C)c1[N-]C(=O)c1coc(C)n1 ZINC000683919399 488244769 /nfs/dbraw/zinc/24/47/69/488244769.db2.gz DVGXBJAOWWIQIK-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM Cc1c([N-]c2nc(C3CC3)ns2)cnn1C ZINC000678407478 488251822 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588956360 /nfs/dbraw/zinc/95/63/60/588956360.db2.gz VVEQDNPQCSUVPM-UHFFFAOYSA-N -1 1 227.695 2.072 20 0 BEADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858458500 588956769 /nfs/dbraw/zinc/95/67/69/588956769.db2.gz XGZFEZWSSXSNCU-LURJTMIESA-N -1 1 227.695 2.436 20 0 BEADMM CC[C@@H](CSC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858466157 588957561 /nfs/dbraw/zinc/95/75/61/588957561.db2.gz ADYLHGWUZNZNDF-LURJTMIESA-N -1 1 247.751 2.389 20 0 BEADMM CC[C@@H]1C[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC000898576517 584143691 /nfs/dbraw/zinc/14/36/91/584143691.db2.gz PAJYWXRYKUDWIN-LDYMZIIASA-N -1 1 223.247 2.282 20 0 BEADMM O=c1nc(NC2CC(F)(F)C2)cc(Cl)[n-]1 ZINC000858515384 588962357 /nfs/dbraw/zinc/96/23/57/588962357.db2.gz JLURWZZJODHQAY-UHFFFAOYSA-N -1 1 235.621 2.045 20 0 BEADMM CC1(C)CC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858544912 588964083 /nfs/dbraw/zinc/96/40/83/588964083.db2.gz CXPPKTCWYKEFFN-ZCFIWIBFSA-N -1 1 227.695 2.436 20 0 BEADMM C[C@@H]1CC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858545592 588964244 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/nfs/dbraw/zinc/95/59/04/585955904.db2.gz PBOHIWACWAMQDX-UHFFFAOYSA-N -1 1 229.648 2.037 20 0 BEADMM COC(=O)c1ccc(C(=O)O[C@@H]2C=CCCC2)[n-]1 ZINC000796363264 586101715 /nfs/dbraw/zinc/10/17/15/586101715.db2.gz SHJKKMDVHYKQLO-SECBINFHSA-N -1 1 249.266 2.067 20 0 BEADMM O=C(OCc1ccncc1)c1ccc([O-])cc1F ZINC000803418047 586353955 /nfs/dbraw/zinc/35/39/55/586353955.db2.gz RGCFPFZAXVBAOU-UHFFFAOYSA-N -1 1 247.225 2.283 20 0 BEADMM C[C@H]1C[C@@H]1COC(=O)c1ccc([O-])cc1F ZINC000859622193 589049875 /nfs/dbraw/zinc/04/98/75/589049875.db2.gz CDDCXXFWEUQUFE-JGVFFNPUSA-N -1 1 224.231 2.344 20 0 BEADMM CCC[C@@H](C)CCCOC(=O)c1cn[n-]n1 ZINC000859692933 589055326 /nfs/dbraw/zinc/05/53/26/589055326.db2.gz OLQBBGWGYBQJJR-SECBINFHSA-N -1 1 225.292 2.178 20 0 BEADMM CCC1=C(C(=O)[N-]OC/C=C\Cl)CCCO1 ZINC000812400554 586575315 /nfs/dbraw/zinc/57/53/15/586575315.db2.gz OMTWYXYICBXAIA-XQRVVYSFSA-N -1 1 245.706 2.261 20 0 BEADMM O=C(CCCC1CC1)[N-]OCC(F)(F)F ZINC000812534841 586578760 /nfs/dbraw/zinc/57/87/60/586578760.db2.gz PTURVRWPUKRWBT-UHFFFAOYSA-N -1 1 225.210 2.177 20 0 BEADMM CC[C@H](C)CON=c1cc(-n2ccnc2)nc[n-]1 ZINC000813621656 586604573 /nfs/dbraw/zinc/60/45/73/586604573.db2.gz CZUSSNRAOBJKOZ-JTQLQIEISA-N -1 1 247.302 2.052 20 0 BEADMM CC(C)[C@H](C)C(=O)[N-]Oc1ccccc1 ZINC000816684414 586755625 /nfs/dbraw/zinc/75/56/25/586755625.db2.gz AALOQXWBGOZHPG-JTQLQIEISA-N -1 1 207.273 2.389 20 0 BEADMM CO[C@@H]1CCCC[C@H]1C(=O)[N-]OCCC1CC1 ZINC000817425302 586804518 /nfs/dbraw/zinc/80/45/18/586804518.db2.gz APYRKZWZGODTQK-VXGBXAGGSA-N -1 1 241.331 2.040 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CC12CC2 ZINC000817593969 586813223 /nfs/dbraw/zinc/81/32/23/586813223.db2.gz HATQJZJYNUKYIQ-ZCFIWIBFSA-N -1 1 238.674 2.179 20 0 BEADMM CCc1ccc([C@H](C)N[C@H](CC)C(=O)[O-])o1 ZINC000818335780 586886657 /nfs/dbraw/zinc/88/66/57/586886657.db2.gz GLDOKAWGQKDBOG-WCBMZHEXSA-N -1 1 225.288 2.356 20 0 BEADMM O=C([N-]C[C@@H]1C[C@H]1C1CCC1)C(F)(F)F ZINC000819604141 586980977 /nfs/dbraw/zinc/98/09/77/586980977.db2.gz PMZWJLYWEQYOAU-YUMQZZPRSA-N -1 1 221.222 2.101 20 0 BEADMM CC[C@@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819951635 587005315 /nfs/dbraw/zinc/00/53/15/587005315.db2.gz RSIDORKHZWGYDD-MRVPVSSYSA-N -1 1 248.282 2.437 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1cccs1 ZINC000820402788 587046467 /nfs/dbraw/zinc/04/64/67/587046467.db2.gz NRGSJHRLMZDTJJ-PLNGDYQASA-N -1 1 249.295 2.137 20 0 BEADMM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000822918314 587192983 /nfs/dbraw/zinc/19/29/83/587192983.db2.gz OPQQVKFHHMTLOO-NQBHXWOUSA-N -1 1 241.331 2.387 20 0 BEADMM CC1(C(=O)[N-]OC2CCC2)CC(F)(F)C1 ZINC000823303351 587215112 /nfs/dbraw/zinc/21/51/12/587215112.db2.gz ZGAGPENODRSELK-UHFFFAOYSA-N -1 1 219.231 2.022 20 0 BEADMM CC(C)[C@@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824191077 587259636 /nfs/dbraw/zinc/25/96/36/587259636.db2.gz COBFOQWGFZJAPX-MRVPVSSYSA-N -1 1 249.343 2.398 20 0 BEADMM CC(C)[C@@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824191077 587259637 /nfs/dbraw/zinc/25/96/37/587259637.db2.gz COBFOQWGFZJAPX-MRVPVSSYSA-N -1 1 249.343 2.398 20 0 BEADMM CCCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825296485 587313425 /nfs/dbraw/zinc/31/34/25/587313425.db2.gz LEEJRINNWASHES-UHFFFAOYSA-N -1 1 249.343 2.295 20 0 BEADMM CCCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825296485 587313427 /nfs/dbraw/zinc/31/34/27/587313427.db2.gz LEEJRINNWASHES-UHFFFAOYSA-N -1 1 249.343 2.295 20 0 BEADMM C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637729 587328659 /nfs/dbraw/zinc/32/86/59/587328659.db2.gz GJBMPBITBGTIFG-DGCLKSJQSA-N -1 1 248.326 2.432 20 0 BEADMM c1cn(CCC2CCCCC2)c(-c2nnn[n-]2)n1 ZINC000826524676 587353701 /nfs/dbraw/zinc/35/37/01/587353701.db2.gz FETRTXPRKNHSQG-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM c1cn(CCC2CCCCC2)c(-c2nn[n-]n2)n1 ZINC000826524676 587353702 /nfs/dbraw/zinc/35/37/02/587353702.db2.gz FETRTXPRKNHSQG-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM C[N@@H+](CCNC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000828330212 587435595 /nfs/dbraw/zinc/43/55/95/587435595.db2.gz VOYDYJNXTVGETF-ZDUSSCGKSA-N -1 1 248.326 2.263 20 0 BEADMM Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000830471048 587552984 /nfs/dbraw/zinc/55/29/84/587552984.db2.gz DHSFKMPOSLEPMO-AAEUAGOBSA-N -1 1 248.326 2.398 20 0 BEADMM Cc1ccnc(NC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000830612270 587560027 /nfs/dbraw/zinc/56/00/27/587560027.db2.gz XLQBKNNENWLHDX-SNVBAGLBSA-N -1 1 237.303 2.094 20 0 BEADMM O=C([O-])c1cc(-c2nc3ccc(F)cc3[nH]2)c[nH]1 ZINC000833293789 587705074 /nfs/dbraw/zinc/70/50/74/587705074.db2.gz IQIJIOZMEGXXPQ-UHFFFAOYSA-N -1 1 245.213 2.395 20 0 BEADMM C/C(=C/CN1CCc2cc(F)ccc2C1)C(=O)[O-] ZINC000833383781 587712242 /nfs/dbraw/zinc/71/22/42/587712242.db2.gz PPCVQGIIASGSDD-WMZJFQQLSA-N -1 1 249.285 2.215 20 0 BEADMM CC(C)(F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000837086804 587852569 /nfs/dbraw/zinc/85/25/69/587852569.db2.gz TVSIKDFOHRIQCJ-UHFFFAOYSA-N -1 1 233.189 2.357 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccncc1 ZINC000867223133 587860123 /nfs/dbraw/zinc/86/01/23/587860123.db2.gz UMUUYYCPKGVXRY-SNVBAGLBSA-N -1 1 234.299 2.176 20 0 BEADMM CC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1CCCCO1 ZINC000848350586 588372951 /nfs/dbraw/zinc/37/29/51/588372951.db2.gz RCRRMDUMSCIMLM-JGVFFNPUSA-N -1 1 239.237 2.013 20 0 BEADMM CC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1CCCCO1 ZINC000848350585 588373114 /nfs/dbraw/zinc/37/31/14/588373114.db2.gz RCRRMDUMSCIMLM-HTQZYQBOSA-N -1 1 239.237 2.013 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC=CO1 ZINC000863009146 589251927 /nfs/dbraw/zinc/25/19/27/589251927.db2.gz AZIWXEANCYRVNL-JTQLQIEISA-N -1 1 237.230 2.163 20 0 BEADMM CCCOCSc1nc(C)c(C)c(=O)[n-]1 ZINC000863318924 589279388 /nfs/dbraw/zinc/27/93/88/589279388.db2.gz AGARATYQKRYQIH-UHFFFAOYSA-N -1 1 228.317 2.275 20 0 BEADMM CCOCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373061 589427916 /nfs/dbraw/zinc/42/79/16/589427916.db2.gz DPKMHCQYLSOZOB-UHFFFAOYSA-N -1 1 240.328 2.454 20 0 BEADMM O=C(NCCC1CCC1)c1cc(F)ccc1[O-] ZINC000122694340 589618887 /nfs/dbraw/zinc/61/88/87/589618887.db2.gz DLTHDHAGNNEWCY-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM Cc1ccoc1CN1CCCC[C@H]1C(=O)[O-] ZINC000123358475 589691173 /nfs/dbraw/zinc/69/11/73/589691173.db2.gz NJVVHKVRMUJRSC-JTQLQIEISA-N -1 1 223.272 2.027 20 0 BEADMM CCc1cc(C(=O)[N-]c2c(C)noc2C)no1 ZINC000888554514 589729791 /nfs/dbraw/zinc/72/97/91/589729791.db2.gz PYLZHXVSPYQEPK-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@@H](CC)C(C)=O)n1 ZINC000871666684 589785690 /nfs/dbraw/zinc/78/56/90/589785690.db2.gz OGCIPZIPJLAXSH-VIFPVBQESA-N -1 1 240.328 2.204 20 0 BEADMM CC(F)(F)C(=O)[N-]Cc1ncc(Cl)s1 ZINC000871748741 589804145 /nfs/dbraw/zinc/80/41/45/589804145.db2.gz FRYLPSAKAYKBGW-UHFFFAOYSA-N -1 1 240.662 2.068 20 0 BEADMM CC(F)(F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000871750664 589805173 /nfs/dbraw/zinc/80/51/73/589805173.db2.gz CACGYNRFNYHPMQ-UHFFFAOYSA-N -1 1 249.644 2.317 20 0 BEADMM CC1(C)CCc2c([n-]n(CC3CC3)c2=O)C1 ZINC000871942325 589835656 /nfs/dbraw/zinc/83/56/56/589835656.db2.gz GONPQAOYBJJCQD-JTQLQIEISA-N -1 1 220.316 2.421 20 0 BEADMM CCc1[n-]n(-c2ccccc2F)c(=O)c1F ZINC000871941733 589835737 /nfs/dbraw/zinc/83/57/37/589835737.db2.gz GQOHNYWGRVLYQQ-JTQLQIEISA-N -1 1 224.210 2.276 20 0 BEADMM CCc1[n-]n(-c2cccc(Cl)n2)c(=O)c1F ZINC000871950450 589836006 /nfs/dbraw/zinc/83/60/06/589836006.db2.gz FNHKCIZNBLGABI-SECBINFHSA-N -1 1 241.653 2.186 20 0 BEADMM CCc1[n-]n(-c2ccc(C)cc2)c(=O)c1F ZINC000871941139 589836185 /nfs/dbraw/zinc/83/61/85/589836185.db2.gz WEDSWQJSHSPCNV-NSHDSACASA-N -1 1 220.247 2.446 20 0 BEADMM CCc1[n-]n(-c2ccccc2C)c(=O)c1F ZINC000871940944 589836294 /nfs/dbraw/zinc/83/62/94/589836294.db2.gz RKVOXKAWGCJTDA-NSHDSACASA-N -1 1 220.247 2.446 20 0 BEADMM CCc1[n-]n(Cc2ccc(C)cc2)c(=O)c1F ZINC000871943658 589837783 /nfs/dbraw/zinc/83/77/83/589837783.db2.gz PBUHEUZIRLNRTN-LBPRGKRZSA-N -1 1 234.274 2.441 20 0 BEADMM O=c1c2c([n-]n1CC1CC1)-c1ccccc1CC2 ZINC000871943641 589837821 /nfs/dbraw/zinc/83/78/21/589837821.db2.gz OVTZGWSSZNLSOC-ZDUSSCGKSA-N -1 1 240.306 2.205 20 0 BEADMM CC(C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948003 589838872 /nfs/dbraw/zinc/83/88/72/589838872.db2.gz NYGQFVMQOPSHQO-SECBINFHSA-N -1 1 208.305 2.419 20 0 BEADMM CCc1c(C)[n-]n(-c2ccc(Cl)nc2)c1=O ZINC000871954042 589842873 /nfs/dbraw/zinc/84/28/73/589842873.db2.gz JKEVBFGCJKOXGN-VIFPVBQESA-N -1 1 237.690 2.484 20 0 BEADMM Cc1cccnc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000871955887 589843562 /nfs/dbraw/zinc/84/35/62/589843562.db2.gz UMXKPMGPEZCANS-GZMMTYOYSA-N -1 1 229.283 2.139 20 0 BEADMM CCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1F ZINC000871958725 589844621 /nfs/dbraw/zinc/84/46/21/589844621.db2.gz FPAMFTHFQDMQGF-KWQFWETISA-N -1 1 235.262 2.089 20 0 BEADMM Cc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1C ZINC000871962621 589847060 /nfs/dbraw/zinc/84/70/60/589847060.db2.gz GPRNZQWRFROFJQ-APPZFPTMSA-N -1 1 230.258 2.276 20 0 BEADMM CCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1F ZINC000871962816 589847791 /nfs/dbraw/zinc/84/77/91/589847791.db2.gz HHHYHXPBYCDAFE-IONNQARKSA-N -1 1 248.248 2.368 20 0 BEADMM O=C([O-])[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000874051585 590087936 /nfs/dbraw/zinc/08/79/36/590087936.db2.gz UWYNZRLWOWPGHZ-MRVPVSSYSA-N -1 1 243.690 2.230 20 0 BEADMM C[C@@H](C(=O)[N-]Oc1ccccc1F)C1CC1 ZINC000874911377 590154444 /nfs/dbraw/zinc/15/44/44/590154444.db2.gz KOBYJVOVWCIKLK-MRVPVSSYSA-N -1 1 223.247 2.282 20 0 BEADMM CS[C@H](C)CC(=O)[N-]Oc1ccccc1F ZINC000874911617 590155161 /nfs/dbraw/zinc/15/51/61/590155161.db2.gz NLCXLCDIQKWWBE-MRVPVSSYSA-N -1 1 243.303 2.377 20 0 BEADMM Cc1sccc1C=C1SC(=O)[N-]C1=O ZINC000874927424 590155740 /nfs/dbraw/zinc/15/57/40/590155740.db2.gz CIWGSTGUKSVVHS-QPJJXVBHSA-N -1 1 225.294 2.380 20 0 BEADMM CCc1ccc(C=C2SC(=O)[N-]C2=O)o1 ZINC000874929289 590155829 /nfs/dbraw/zinc/15/58/29/590155829.db2.gz YHNUPVJIIUURBH-VMPITWQZSA-N -1 1 223.253 2.166 20 0 BEADMM Cc1nocc1[N-]C(=O)c1c(C)noc1C1CC1 ZINC000880446431 591046955 /nfs/dbraw/zinc/04/69/55/591046955.db2.gz GPDMTNHJGMPKAA-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM CC[C@@H](C)CON=c1[n-]c(C)cnc1C ZINC000882393103 591342136 /nfs/dbraw/zinc/34/21/36/591342136.db2.gz WIFQVJQXISQZKZ-MRVPVSSYSA-N -1 1 209.293 2.483 20 0 BEADMM O=c1nc(N2CCC[C@@H](CF)C2)cc(Cl)[n-]1 ZINC000882803711 591443348 /nfs/dbraw/zinc/44/33/48/591443348.db2.gz BRZBGYBUTBMWGA-ZETCQYMHSA-N -1 1 245.685 2.022 20 0 BEADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccns1 ZINC000884984380 592032169 /nfs/dbraw/zinc/03/21/69/592032169.db2.gz XSBPVABWVAKSJK-MRVPVSSYSA-N -1 1 248.373 2.000 20 0 BEADMM O=C([O-])c1cccc(CNCc2cncs2)c1 ZINC000236486534 598194015 /nfs/dbraw/zinc/19/40/15/598194015.db2.gz IXSRYYBQFUODJW-UHFFFAOYSA-N -1 1 248.307 2.131 20 0 BEADMM C/C(=C/CN(C)Cc1ccccc1F)C(=O)[O-] ZINC000088630452 601051558 /nfs/dbraw/zinc/05/15/58/601051558.db2.gz ZWYDOYSJYFRNMP-YFHOEESVSA-N -1 1 237.274 2.288 20 0 BEADMM C/C(=C\C[N@H+](C)Cc1ccoc1C)C(=O)[O-] ZINC000214716455 601158563 /nfs/dbraw/zinc/15/85/63/601158563.db2.gz QVROWACERWZAFB-RUDMXATFSA-N -1 1 223.272 2.051 20 0 BEADMM 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ZINC000187597081 635301327 /nfs/dbraw/zinc/30/13/27/635301327.db2.gz MXWOJRHZZOHVSW-UHFFFAOYSA-N -1 1 246.357 2.042 20 0 BEADMM CCC[C@@](C)(NCc1ccc(OC)o1)C(=O)[O-] ZINC000900032489 637168077 /nfs/dbraw/zinc/16/80/77/637168077.db2.gz IAXSHZIKEKSRCL-GFCCVEGCSA-N -1 1 241.287 2.021 20 0 BEADMM C/C=C/CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902268746 637289039 /nfs/dbraw/zinc/28/90/39/637289039.db2.gz MWMWOGGUOGFEPN-BLWKUPHCSA-N -1 1 221.256 2.043 20 0 BEADMM C/C=C\CNCc1cc(C(=O)[O-])c(CC)o1 ZINC000902267201 637290031 /nfs/dbraw/zinc/29/00/31/637290031.db2.gz FPMVGTXLPRODDO-HYXAFXHYSA-N -1 1 223.272 2.206 20 0 BEADMM O=C([N-]O[C@@H]1CCCCO1)C1(C2CC2)CCC1 ZINC000906477409 638175833 /nfs/dbraw/zinc/17/58/33/638175833.db2.gz AMTKBEKVDOVFBB-LLVKDONJSA-N -1 1 239.315 2.141 20 0 BEADMM C/C(=C(/F)C(=O)Nc1ncccc1[O-])C1CC1 ZINC000907313699 638345047 /nfs/dbraw/zinc/34/50/47/638345047.db2.gz KSLXJVNHONALQP-YFHOEESVSA-N -1 1 236.246 2.379 20 0 BEADMM CCC(F)(F)C(=O)[N-]N1[C@@H](C)CCC[C@@H]1C ZINC000907978983 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/nfs/dbraw/zinc/60/24/39/981602439.db2.gz PMCJSPHFFWIQRD-UHFFFAOYSA-N -1 1 233.246 2.054 20 0 BEADMM COc1cc(C(=O)[O-])ccc1-c1cc(N)ccn1 ZINC001240733099 981801189 /nfs/dbraw/zinc/80/11/89/981801189.db2.gz GGKNRVLIVVFLGK-UHFFFAOYSA-N -1 1 244.250 2.038 20 0 BEADMM Cc1cnnc(-c2ccc([O-])c(F)c2)c1 ZINC001240782711 981819636 /nfs/dbraw/zinc/81/96/36/981819636.db2.gz FADLMZYKLBROTE-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM Cn1ccc2ncnc(-c3ccc([O-])c(F)c3)c21 ZINC001240782609 981820943 /nfs/dbraw/zinc/82/09/43/981820943.db2.gz BRTBLBQLDSMRQV-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1ccc(-c2ncnc3cc[nH]c32)cc1F ZINC001240783147 981823163 /nfs/dbraw/zinc/82/31/63/981823163.db2.gz MLPLEXOJJJSEFK-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM [O-]c1ccc(-c2ncc3[nH]ccc3n2)cc1F ZINC001240782976 981823443 /nfs/dbraw/zinc/82/34/43/981823443.db2.gz KVTRANGPUPFMBQ-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM COCc1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240783205 981824074 /nfs/dbraw/zinc/82/40/74/981824074.db2.gz OTNRXWDPQWOSOK-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM CCO/C=C\C(=O)Nc1c([O-])cccc1F ZINC001583971842 981844894 /nfs/dbraw/zinc/84/48/94/981844894.db2.gz MWDDDIZWQUNIHR-SREVYHEPSA-N -1 1 225.219 2.020 20 0 BEADMM Cc1c(N)ccnc1-c1ccc(C(=O)[O-])s1 ZINC001240842813 981885331 /nfs/dbraw/zinc/88/53/31/981885331.db2.gz NEEFXDNREMNPJQ-UHFFFAOYSA-N -1 1 234.280 2.399 20 0 BEADMM O=C([O-])c1ccc(-c2ccc3nn[nH]c3c2)s1 ZINC001240847531 981887142 /nfs/dbraw/zinc/88/71/42/981887142.db2.gz DWPCHQHXAIXHPM-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM O=C(NCC1=CCCC1)c1cccc([O-])c1F ZINC001585052406 981902562 /nfs/dbraw/zinc/90/25/62/981902562.db2.gz WBIYYODELWRDTO-UHFFFAOYSA-N -1 1 235.258 2.371 20 0 BEADMM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001585571944 981935458 /nfs/dbraw/zinc/93/54/58/981935458.db2.gz IDIILRZKLUGKRB-SCZZXKLOSA-N -1 1 237.274 2.450 20 0 BEADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])cn1 ZINC001586816741 982024853 /nfs/dbraw/zinc/02/48/53/982024853.db2.gz ODTZSQKHKZVZAS-NXEZZACHSA-N -1 1 236.315 2.342 20 0 BEADMM O=C([O-])[C@@H](F)CNCc1ccc(C2CC2)cc1 ZINC001350652298 982035784 /nfs/dbraw/zinc/03/57/84/982035784.db2.gz HSPBPTIVXYJSSJ-LBPRGKRZSA-N -1 1 237.274 2.076 20 0 BEADMM CCCCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001586994794 982040550 /nfs/dbraw/zinc/04/05/50/982040550.db2.gz OYXCPTOVFOEENA-UHFFFAOYSA-N -1 1 235.283 2.043 20 0 BEADMM Cc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC2(C)C)n1 ZINC001195324844 982175330 /nfs/dbraw/zinc/17/53/30/982175330.db2.gz ULRJQGFMPNMSHO-JTQLQIEISA-N -1 1 248.326 2.214 20 0 BEADMM Cc1ccc([O-])c(C(=O)N2CCCC[C@H](C)C2)n1 ZINC001195321151 982179230 /nfs/dbraw/zinc/17/92/30/982179230.db2.gz CIOIXBDSYGAFFR-JTQLQIEISA-N -1 1 248.326 2.358 20 0 BEADMM Cc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC001195318683 982197618 /nfs/dbraw/zinc/19/76/18/982197618.db2.gz MLXUSVJKLJYOHJ-PHIMTYICSA-N -1 1 248.326 2.499 20 0 BEADMM CCCONC(=O)c1cc(SC)ccc1[O-] ZINC001351144338 982217047 /nfs/dbraw/zinc/21/70/47/982217047.db2.gz XTDOJEMIZISEEU-UHFFFAOYSA-N -1 1 241.312 2.186 20 0 BEADMM Cc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289707 982427774 /nfs/dbraw/zinc/42/77/74/982427774.db2.gz DNFQWYMEPSCIAO-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM [O-]c1ccc(F)c(-c2nccc3n[nH]nc32)c1F ZINC001241291328 982433692 /nfs/dbraw/zinc/43/36/92/982433692.db2.gz XFQMMBHBAFAAHM-UHFFFAOYSA-N -1 1 248.192 2.004 20 0 BEADMM [O-]c1ccc(F)c(-c2ncnn3cccc23)c1F ZINC001241293625 982435426 /nfs/dbraw/zinc/43/54/26/982435426.db2.gz KEPGNQXBKCGTLW-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM C=CS(=O)(=O)[N-]c1cccc2c(C)ccnc12 ZINC001198609839 982800133 /nfs/dbraw/zinc/80/01/33/982800133.db2.gz ABMQMJANYJWDDL-UHFFFAOYSA-N -1 1 248.307 2.428 20 0 BEADMM CC(C)c1ocnc1CNC(C)(C)CC(=O)[O-] ZINC001592108697 983114091 /nfs/dbraw/zinc/11/40/91/983114091.db2.gz UKJRBNHPSHCIGH-UHFFFAOYSA-N -1 1 240.303 2.141 20 0 BEADMM Cc1cnccc1-c1ccc(-c2nn[n-]n2)s1 ZINC001592300656 983132206 /nfs/dbraw/zinc/13/22/06/983132206.db2.gz URHACDYMJOJNED-UHFFFAOYSA-N -1 1 243.295 2.299 20 0 BEADMM [O-]c1cccnc1N=C1CCSCC1 ZINC001201327258 983187305 /nfs/dbraw/zinc/18/73/05/983187305.db2.gz RYYRFTLTRAKECD-UHFFFAOYSA-N -1 1 208.286 2.220 20 0 BEADMM c1cc(-c2nnn[n-]2)oc1CSCC1CC1 ZINC001593551036 983299521 /nfs/dbraw/zinc/29/95/21/983299521.db2.gz GWPDMDQUQHGQKX-UHFFFAOYSA-N -1 1 236.300 2.103 20 0 BEADMM c1cc(-c2nn[n-]n2)oc1CSCC1CC1 ZINC001593551036 983299530 /nfs/dbraw/zinc/29/95/30/983299530.db2.gz GWPDMDQUQHGQKX-UHFFFAOYSA-N -1 1 236.300 2.103 20 0 BEADMM CC(C)NC(=S)Nc1ccc([O-])c(F)c1F ZINC001200785735 983365557 /nfs/dbraw/zinc/36/55/57/983365557.db2.gz RWOZMMIEZOQWNH-UHFFFAOYSA-N -1 1 246.282 2.365 20 0 BEADMM [O-]c1cc(F)ccc1-c1cccn2ncnc12 ZINC001242217613 983414517 /nfs/dbraw/zinc/41/45/17/983414517.db2.gz GXRXQXUKEKZKSJ-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CC(C)n1nc(-c2ccc(F)cc2[O-])ccc1=O ZINC001242219290 983417486 /nfs/dbraw/zinc/41/74/86/983417486.db2.gz 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248.257 2.336 20 0 BEADMM Cn1cc(-c2cccc(Cl)c2[O-])ccc1=O ZINC001242364305 983652842 /nfs/dbraw/zinc/65/28/42/983652842.db2.gz GWNWVXQNFYWRPT-UHFFFAOYSA-N -1 1 235.670 2.411 20 0 BEADMM CCN(CC)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596254580 983664161 /nfs/dbraw/zinc/66/41/61/983664161.db2.gz UQWSDWQEUHWBQE-ZETCQYMHSA-N -1 1 228.317 2.244 20 0 BEADMM Cc1cnc(-c2cccc(C(=O)[O-])c2F)cc1N ZINC001242376393 983666441 /nfs/dbraw/zinc/66/64/41/983666441.db2.gz JJYFRGGJPBCMMD-UHFFFAOYSA-N -1 1 246.241 2.477 20 0 BEADMM CC(C)NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001202529059 983870776 /nfs/dbraw/zinc/87/07/76/983870776.db2.gz RHBXUXSLNFFDIO-UHFFFAOYSA-N -1 1 230.214 2.200 20 0 BEADMM Cc1cnc([N-]C(=O)c2ocnc2C(F)F)o1 ZINC001361062663 983996957 /nfs/dbraw/zinc/99/69/57/983996957.db2.gz BLMGBNAARARXEB-UHFFFAOYSA-N -1 1 243.169 2.161 20 0 BEADMM Cc1ccc(-c2noc(-c3cn[n-]n3)n2)cc1C ZINC001212799234 984164987 /nfs/dbraw/zinc/16/49/87/984164987.db2.gz PTACBJPHAABSFK-UHFFFAOYSA-N -1 1 241.254 2.139 20 0 BEADMM NC(=O)c1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242800942 984171435 /nfs/dbraw/zinc/17/14/35/984171435.db2.gz QJAFBPAMUCUEDI-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM O=C(NC1CC(F)(F)C1)c1ccc(F)c([O-])c1 ZINC001154301647 984290718 /nfs/dbraw/zinc/29/07/18/984290718.db2.gz PCEKCKUEHOXIPB-UHFFFAOYSA-N -1 1 245.200 2.059 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)[C@@H]1C ZINC001440412025 984408464 /nfs/dbraw/zinc/40/84/64/984408464.db2.gz NLLZLEFNNUYIQW-CKYFFXLPSA-N -1 1 248.326 2.342 20 0 BEADMM Cc1ncnc(-c2ccc(F)c([O-])c2)c1F ZINC001243053968 984420259 /nfs/dbraw/zinc/42/02/59/984420259.db2.gz KFQDQUKFKJRFLU-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM Cc1nc2cnc(-c3ccc(F)c([O-])c3)nc2[nH]1 ZINC001243053856 984424272 /nfs/dbraw/zinc/42/42/72/984424272.db2.gz HHEJBCQDDKWZNS-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM CN(C(=O)c1cccc([O-])c1F)c1cccnc1 ZINC001443448045 984525912 /nfs/dbraw/zinc/52/59/12/984525912.db2.gz SEDBXRWCXJAUDZ-UHFFFAOYSA-N -1 1 246.241 2.203 20 0 BEADMM C[C@@H]1C[C@H](C)N(C(=O)c2cccc([O-])c2F)C1 ZINC001444618928 984571343 /nfs/dbraw/zinc/57/13/43/984571343.db2.gz QUYWBOYZYFWCCN-BDAKNGLRSA-N -1 1 237.274 2.402 20 0 BEADMM Cc1ncccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001444818515 984574117 /nfs/dbraw/zinc/57/41/17/984574117.db2.gz UEWDFIOKDFXOLF-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CC(C)C[C@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001445054760 984586821 /nfs/dbraw/zinc/58/68/21/984586821.db2.gz OMIJOJBIWXXKLI-LLVKDONJSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@H](C(=O)[O-])N(C)c1ccnc2cc(F)ccc21 ZINC001599886631 984644255 /nfs/dbraw/zinc/64/42/55/984644255.db2.gz QWHXTKZMEOFUNT-MRVPVSSYSA-N -1 1 248.257 2.283 20 0 BEADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc([O-])c1F ZINC001448541660 984813285 /nfs/dbraw/zinc/81/32/85/984813285.db2.gz OIPNTUUVXPJRPI-VHSXEESVSA-N -1 1 235.258 2.060 20 0 BEADMM CCO/C=C/C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451755012 984901571 /nfs/dbraw/zinc/90/15/71/984901571.db2.gz MJFFZMMHJFBGAJ-ONEGZZNKSA-N -1 1 243.209 2.159 20 0 BEADMM CCO/C=C\C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451754999 984906287 /nfs/dbraw/zinc/90/62/87/984906287.db2.gz MJFFZMMHJFBGAJ-ARJAWSKDSA-N -1 1 243.209 2.159 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cnc(F)nc1F ZINC001243504976 985059250 /nfs/dbraw/zinc/05/92/50/985059250.db2.gz CLERJLFQHYNGEC-UHFFFAOYSA-N -1 1 244.147 2.406 20 0 BEADMM C[C@H]1CN(C(=O)c2ccc([O-])cn2)C(C)(C)C1 ZINC001455237034 985065723 /nfs/dbraw/zinc/06/57/23/985065723.db2.gz LXTPZNQYRLIMOW-SECBINFHSA-N -1 1 234.299 2.048 20 0 BEADMM O=C(N[C@H]1CC12CCC2)c1cccc([O-])c1F ZINC001455533317 985081350 /nfs/dbraw/zinc/08/13/50/985081350.db2.gz UAVCLXFVAJUOIJ-JTQLQIEISA-N -1 1 235.258 2.204 20 0 BEADMM O=C(N[C@@H]1CC12CCC2)c1cccc([O-])c1F ZINC001455533332 985081935 /nfs/dbraw/zinc/08/19/35/985081935.db2.gz UAVCLXFVAJUOIJ-SNVBAGLBSA-N -1 1 235.258 2.204 20 0 BEADMM [O-]c1cc(-c2ncnc3[nH]cnc32)ccc1Cl ZINC001243577059 985132849 /nfs/dbraw/zinc/13/28/49/985132849.db2.gz RUKTXBPLBNCINX-UHFFFAOYSA-N -1 1 246.657 2.379 20 0 BEADMM [O-]c1cc(-c2nccn3ncnc23)ccc1Cl ZINC001243584688 985143225 /nfs/dbraw/zinc/14/32/25/985143225.db2.gz WBQSJLZZZBLUMV-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM C[C@@H]1CC[C@@H](C(=O)Nc2c[n-][nH]c2=O)C[C@@H]1C ZINC001457820949 985237574 /nfs/dbraw/zinc/23/75/74/985237574.db2.gz HGOYXPAXCAQMPF-HRDYMLBCSA-N -1 1 237.303 2.126 20 0 BEADMM CC[C@H](NC1CCC(C(=O)[O-])CC1)C(F)F ZINC001589568615 985267638 /nfs/dbraw/zinc/26/76/38/985267638.db2.gz NKRCGULWIVIRQF-HACHORDNSA-N -1 1 235.274 2.263 20 0 BEADMM O=c1nc(Cl)cc(Oc2ccc(F)nc2)[n-]1 ZINC001458269023 985282285 /nfs/dbraw/zinc/28/22/85/985282285.db2.gz MEGSGOJWRLJVSS-UHFFFAOYSA-N -1 1 241.609 2.162 20 0 BEADMM Cc1cc(-c2cc(F)c([O-])c(F)c2)n(C)n1 ZINC001244095966 985807880 /nfs/dbraw/zinc/80/78/80/985807880.db2.gz FAVHAXZNEOFLTN-UHFFFAOYSA-N -1 1 224.210 2.379 20 0 BEADMM COc1cnc(-c2cc(C)ccc2[O-])nc1OC ZINC001244403171 986068832 /nfs/dbraw/zinc/06/88/32/986068832.db2.gz SKRATHIMVJVDCT-UHFFFAOYSA-N -1 1 246.266 2.175 20 0 BEADMM Cn1cnc(-c2ccc(Cl)cc2[O-])c1 ZINC001244470102 986147217 /nfs/dbraw/zinc/14/72/17/986147217.db2.gz ZVBGHXNRPOGPDC-UHFFFAOYSA-N -1 1 208.648 2.446 20 0 BEADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(F)ccc1O ZINC001260738594 986445424 /nfs/dbraw/zinc/44/54/24/986445424.db2.gz OLGKWNXOTYESIV-SSDOTTSWSA-N -1 1 247.291 2.072 20 0 BEADMM Cc1oc(C(=O)[O-])cc1CN1CCC(F)CC1 ZINC000689454528 986615236 /nfs/dbraw/zinc/61/52/36/986615236.db2.gz XNTJNGQYUFBWDA-UHFFFAOYSA-N -1 1 241.262 2.220 20 0 BEADMM CCN(C(=O)c1cccc([O-])c1F)C1CC1 ZINC001464790987 986655282 /nfs/dbraw/zinc/65/52/82/986655282.db2.gz NNFUKHRUEQWYLV-UHFFFAOYSA-N -1 1 223.247 2.156 20 0 BEADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc[nH]1 ZINC001466619274 986815793 /nfs/dbraw/zinc/81/57/93/986815793.db2.gz MDKMJQHBAMQFFX-QMMMGPOBSA-N -1 1 248.257 2.350 20 0 BEADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)C1 ZINC001466957237 986832930 /nfs/dbraw/zinc/83/29/30/986832930.db2.gz QGMNKBMHFFWMQO-LLVKDONJSA-N -1 1 248.326 2.295 20 0 BEADMM CC[C@H]1CCN(C(=O)c2ccc([O-])cn2)[C@H]1C ZINC001467289251 986843955 /nfs/dbraw/zinc/84/39/55/986843955.db2.gz SODHEUWLPFMKAL-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1nocc1NC(=O)c1ccc([O-])c(F)c1 ZINC001469683572 986993890 /nfs/dbraw/zinc/99/38/90/986993890.db2.gz DXDJOYCFYCWEFC-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM O=C(NCCC[C@H]1C=CCC1)c1ncccc1[O-] ZINC001471686747 987112400 /nfs/dbraw/zinc/11/24/00/987112400.db2.gz NHXNVJXJYRBVRS-NSHDSACASA-N -1 1 246.310 2.263 20 0 BEADMM CCc1cc(=O)n(-c2ccc(OC)c(OC)c2)[n-]1 ZINC001245917636 987151048 /nfs/dbraw/zinc/15/10/48/987151048.db2.gz LGLFNCHXKZJYCC-UHFFFAOYSA-N -1 1 248.282 2.158 20 0 BEADMM CCc1cc(=O)n(-c2ccc3n[nH]cc3c2)[n-]1 ZINC001245917680 987153814 /nfs/dbraw/zinc/15/38/14/987153814.db2.gz MJEUAMUTQDFWBS-UHFFFAOYSA-N -1 1 228.255 2.017 20 0 BEADMM COc1ccc(-n2[n-]c(C)cc2=O)c(F)c1 ZINC001245928515 987184845 /nfs/dbraw/zinc/18/48/45/987184845.db2.gz ZVYBAGMUJBCGNI-UHFFFAOYSA-N -1 1 222.219 2.034 20 0 BEADMM CCOc1ccccc1-n1[n-]c(C)cc1=O ZINC001245928401 987185233 /nfs/dbraw/zinc/18/52/33/987185233.db2.gz YKBBMDTXTNBCQT-UHFFFAOYSA-N -1 1 218.256 2.285 20 0 BEADMM Cc1cc(=O)n(-c2ccc(C(F)(F)F)nc2)[n-]1 ZINC001245928062 987189504 /nfs/dbraw/zinc/18/95/04/987189504.db2.gz KSSQODFIAPDXHT-UHFFFAOYSA-N -1 1 243.188 2.300 20 0 BEADMM CC(=CC(=O)Nc1c[n-][nH]c1=O)C(C)(C)C ZINC001472570649 987248603 /nfs/dbraw/zinc/24/86/03/987248603.db2.gz JSIWBWWSCWESPM-FNORWQNLSA-N -1 1 223.276 2.046 20 0 BEADMM CCc1[nH]c(CN2C[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001597385270 987593972 /nfs/dbraw/zinc/59/39/72/987593972.db2.gz RNFDQWKIJRYTDK-DTWKUNHWSA-N -1 1 236.315 2.116 20 0 BEADMM CCc1[nH]c(CN2CC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001597385683 987597313 /nfs/dbraw/zinc/59/73/13/987597313.db2.gz WQRRFHCKEAKMNG-ZDUSSCGKSA-N -1 1 248.326 2.260 20 0 BEADMM Cc1noc(C)c1[N-]C(=O)c1ocnc1C1CC1 ZINC001117665662 987856613 /nfs/dbraw/zinc/85/66/13/987856613.db2.gz CMRNETDFRRQXIH-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CCC[C@H]1C1CCC1 ZINC001546322547 988866245 /nfs/dbraw/zinc/86/62/45/988866245.db2.gz HEPIHMORYGKZDQ-ZDUSSCGKSA-N -1 1 246.310 2.192 20 0 BEADMM O=C(NCCCC(F)F)c1ccc([O-])c(F)c1 ZINC001120077856 989591190 /nfs/dbraw/zinc/59/11/90/989591190.db2.gz KOEBGHLCIQDRJI-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM Cc1nocc1[N-]C(=O)c1ccoc1Cl ZINC001530857396 990382814 /nfs/dbraw/zinc/38/28/14/990382814.db2.gz RXWQVWGSYKKUJZ-UHFFFAOYSA-N -1 1 226.619 2.482 20 0 BEADMM CC1(NC(=O)C(=O)c2ccc([O-])cc2)CCCC1 ZINC001542335050 990662816 /nfs/dbraw/zinc/66/28/16/990662816.db2.gz PNJVSFNEQFKUTO-UHFFFAOYSA-N -1 1 247.294 2.024 20 0 BEADMM CCCN(C)C(=O)c1cccc([O-])c1F ZINC001544132398 990712847 /nfs/dbraw/zinc/71/28/47/990712847.db2.gz XXQGAHLZBCQWFH-UHFFFAOYSA-N -1 1 211.236 2.013 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CCC2(CCCC2)C1 ZINC001544570775 990727709 /nfs/dbraw/zinc/72/77/09/990727709.db2.gz IUZYZPGMYOCPEB-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM CC1(C)CC[C@H]1NC(=O)c1cccc([O-])c1F 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992140592 /nfs/dbraw/zinc/14/05/92/992140592.db2.gz NAHYTMCNFGPBLS-SECBINFHSA-N -1 1 245.348 2.004 20 0 BEADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(C)cc(F)n1 ZINC001260729205 992144136 /nfs/dbraw/zinc/14/41/36/992144136.db2.gz XMKTVZVENMRXSC-MRVPVSSYSA-N -1 1 246.307 2.069 20 0 BEADMM CC(C)CN(C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591286913 992227034 /nfs/dbraw/zinc/22/70/34/992227034.db2.gz BMYQKMLXDJCRPC-MRVPVSSYSA-N -1 1 242.344 2.490 20 0 BEADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])cn1 ZINC001569219333 992345055 /nfs/dbraw/zinc/34/50/55/992345055.db2.gz VOWZBRRFKAXIFB-GHMZBOCLSA-N -1 1 248.326 2.343 20 0 BEADMM Cc1cnc(C(=O)NC(C)(C)C2CCC2)c([O-])c1 ZINC001569331430 992359734 /nfs/dbraw/zinc/35/97/34/992359734.db2.gz XTODIKZXUGBNAH-UHFFFAOYSA-N -1 1 248.326 2.404 20 0 BEADMM CS/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001570101370 992442499 /nfs/dbraw/zinc/44/24/99/992442499.db2.gz GEVUBRSKIRJAPW-NSCUHMNNSA-N -1 1 245.250 2.486 20 0 BEADMM C[C@H]1CCc2[n-]n(CC3CC3)c(=O)c2C1 ZINC001261890641 992563540 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CC[C@@H](C)CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000336680118 385625904 /nfs/dbraw/zinc/62/59/04/385625904.db2.gz IUVIYIRNTMEVJF-HTQZYQBOSA-N -1 1 229.349 2.125 20 0 BEADMM CCN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000280843895 385609012 /nfs/dbraw/zinc/60/90/12/385609012.db2.gz VVZILUYPWUEZOH-UHFFFAOYSA-N -1 1 229.226 2.152 20 0 BEADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](F)C1 ZINC000335474933 385707892 /nfs/dbraw/zinc/70/78/92/385707892.db2.gz NBAGPMHASHJZQU-MRVPVSSYSA-N -1 1 243.665 2.230 20 0 BEADMM CCC[C@H](CC)SCc1nn[n-]n1 ZINC000308247533 385756052 /nfs/dbraw/zinc/75/60/52/385756052.db2.gz XTDWBHMERCTOIJ-ZETCQYMHSA-N -1 1 200.311 2.012 20 0 BEADMM CSc1ccc(C(=O)[N-]c2nncs2)o1 ZINC000112231649 385836009 /nfs/dbraw/zinc/83/60/09/385836009.db2.gz PMDJGRSZKSSUFJ-UHFFFAOYSA-N -1 1 241.297 2.105 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccnc1 ZINC000271840657 385855375 /nfs/dbraw/zinc/85/53/75/385855375.db2.gz UOQFBXDETCHDRB-SNVBAGLBSA-N -1 1 234.299 2.176 20 0 BEADMM CCCc1occc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816886 385869669 /nfs/dbraw/zinc/86/96/69/385869669.db2.gz ZUDGIGLLNSDMPM-UHFFFAOYSA-N -1 1 249.270 2.222 20 0 BEADMM CO[C@@H](C)CCC(=O)Nc1ccc(F)cc1[O-] ZINC000273049719 385964329 /nfs/dbraw/zinc/96/43/29/385964329.db2.gz JJPIRWDZUVBILI-QMMMGPOBSA-N -1 1 241.262 2.285 20 0 BEADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([O-])c(F)c1 ZINC000644851100 385973004 /nfs/dbraw/zinc/97/30/04/385973004.db2.gz XMXCJPCSLIAVJE-ILWJIGKKSA-N -1 1 235.258 2.060 20 0 BEADMM CO[C@H](C)c1nc(=NCCC=C(C)C)s[n-]1 ZINC000336753128 386021315 /nfs/dbraw/zinc/02/13/15/386021315.db2.gz DSXXAOXTWHIGOW-SECBINFHSA-N -1 1 241.360 2.436 20 0 BEADMM CC/C=C/CNC(=O)c1c(F)ccc([O-])c1F ZINC000295921884 386105579 /nfs/dbraw/zinc/10/55/79/386105579.db2.gz IZXYWPMLCGYRBX-ONEGZZNKSA-N -1 1 241.237 2.366 20 0 BEADMM Cc1cnc(C(=O)N(C)[C@H](C)C2CCC2)c([O-])c1 ZINC000428037147 386267185 /nfs/dbraw/zinc/26/71/85/386267185.db2.gz ZEYBRLZTRAOMSM-SNVBAGLBSA-N -1 1 248.326 2.356 20 0 BEADMM COC[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340327707 386377708 /nfs/dbraw/zinc/37/77/08/386377708.db2.gz KOHWLZPJFFFDRJ-QMMMGPOBSA-N -1 1 241.262 2.142 20 0 BEADMM CC(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000290199083 386406100 /nfs/dbraw/zinc/40/61/00/386406100.db2.gz CUJWPZWRNGIWNI-UHFFFAOYSA-N -1 1 243.253 2.446 20 0 BEADMM Cc1cscc1CNC(=O)c1cncc([O-])c1 ZINC000094879063 386474207 /nfs/dbraw/zinc/47/42/07/386474207.db2.gz NXQJEVWOCAJBJC-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000457297288 386630370 /nfs/dbraw/zinc/63/03/70/386630370.db2.gz SHIVQOUOVVTRSV-JSGCOSHPSA-N -1 1 248.326 2.342 20 0 BEADMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cncc([O-])c1 ZINC000457297293 386631039 /nfs/dbraw/zinc/63/10/39/386631039.db2.gz SHIVQOUOVVTRSV-OCCSQVGLSA-N -1 1 248.326 2.342 20 0 BEADMM CSCCC(=O)Nc1ccc(F)cc1[O-] ZINC000269075723 386748352 /nfs/dbraw/zinc/74/83/52/386748352.db2.gz UWPISJRDBCVPAF-UHFFFAOYSA-N -1 1 229.276 2.223 20 0 BEADMM C[C@H](CSCc1nn[n-]n1)c1ccccc1 ZINC000279994724 386766389 /nfs/dbraw/zinc/76/63/89/386766389.db2.gz RLYNVDHBLCOXDL-SECBINFHSA-N -1 1 234.328 2.237 20 0 BEADMM CC[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000339938415 386816069 /nfs/dbraw/zinc/81/60/69/386816069.db2.gz WTNAUFMMXBPPKZ-LLVKDONJSA-N -1 1 236.315 2.342 20 0 BEADMM CC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(N)=O ZINC000330682399 386829828 /nfs/dbraw/zinc/82/98/28/386829828.db2.gz QCFGAHKBKWFZTO-ZETCQYMHSA-N -1 1 241.316 2.205 20 0 BEADMM CC[C@@H](C)CONC(=O)c1cc(F)ccc1[O-] ZINC000293673955 386858225 /nfs/dbraw/zinc/85/82/25/386858225.db2.gz IUDDPRXBEOBDOD-MRVPVSSYSA-N -1 1 241.262 2.239 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CC1)c1cccc(F)c1 ZINC000293818310 386883993 /nfs/dbraw/zinc/88/39/93/386883993.db2.gz RGSMCBSSACEOKJ-SECBINFHSA-N -1 1 237.274 2.387 20 0 BEADMM CCN(CC(C)C)C(=O)c1ncc(C)cc1[O-] ZINC000330875338 386909417 /nfs/dbraw/zinc/90/94/17/386909417.db2.gz JCJHJDBHPZAFKV-UHFFFAOYSA-N -1 1 236.315 2.214 20 0 BEADMM CCCCCNC(=O)c1ncc(C)cc1[O-] ZINC000358723329 387003772 /nfs/dbraw/zinc/00/37/72/387003772.db2.gz VBIJATCEQKQGJR-UHFFFAOYSA-N -1 1 222.288 2.016 20 0 BEADMM Cn1c(=O)[nH]nc1SCC1=CCCCC1 ZINC000334966136 387047415 /nfs/dbraw/zinc/04/74/15/387047415.db2.gz DUYDNMYPZNEKNO-UHFFFAOYSA-N -1 1 225.317 2.113 20 0 BEADMM Cc1cnc(C(=O)N2CCC[C@H]2C(C)C)c([O-])c1 ZINC000334937649 387014664 /nfs/dbraw/zinc/01/46/64/387014664.db2.gz HIZWSHMXMQXMJS-NSHDSACASA-N -1 1 248.326 2.356 20 0 BEADMM Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)[O-])o1 ZINC000309781612 387221416 /nfs/dbraw/zinc/22/14/16/387221416.db2.gz RIMVRCOSMANTFL-UWVGGRQHSA-N -1 1 223.272 2.198 20 0 BEADMM Cc1ccc(O)c(C[N@H+]2CCC23CCC3)n1 ZINC000336527681 387351493 /nfs/dbraw/zinc/35/14/93/387351493.db2.gz MOLSEQMJUVELAV-UHFFFAOYSA-N -1 1 218.300 2.224 20 0 BEADMM CC[C@H](NC(=O)c1c([O-])cccc1F)C(F)F ZINC000452266008 387785568 /nfs/dbraw/zinc/78/55/68/387785568.db2.gz QUDNGCTYLNVVMZ-ZETCQYMHSA-N -1 1 247.216 2.305 20 0 BEADMM FC(F)(F)c1nc(=NCC2CC=CC2)s[n-]1 ZINC000528115176 387848436 /nfs/dbraw/zinc/84/84/36/387848436.db2.gz OUHTWDUJFWYGGN-UHFFFAOYSA-N -1 1 249.261 2.357 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)[C@H]1C ZINC000246251075 388024252 /nfs/dbraw/zinc/02/42/52/388024252.db2.gz LHIDBBLXNUFIFZ-GBIKHYSHSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000082306235 388027881 /nfs/dbraw/zinc/02/78/81/388027881.db2.gz HSGUXNCDSVNDNN-SNVBAGLBSA-N -1 1 242.278 2.278 20 0 BEADMM Cn1cc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC000083653192 388057875 /nfs/dbraw/zinc/05/78/75/388057875.db2.gz CRVIWJYJATVUPJ-UHFFFAOYSA-N -1 1 237.332 2.313 20 0 BEADMM CCN(Cc1cccc([O-])c1Cl)C1COC1 ZINC000449421506 388200372 /nfs/dbraw/zinc/20/03/72/388200372.db2.gz AQAVKLHXPWADAG-UHFFFAOYSA-N -1 1 241.718 2.266 20 0 BEADMM FC(F)c1nnc([N-]Cc2nccs2)o1 ZINC000276364892 388348745 /nfs/dbraw/zinc/34/87/45/388348745.db2.gz NCANFILKUPGDSK-UHFFFAOYSA-N -1 1 232.215 2.076 20 0 BEADMM CCC(C)(CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646411647 388353296 /nfs/dbraw/zinc/35/32/96/388353296.db2.gz LWUXPLHTLYONAK-UHFFFAOYSA-N -1 1 225.292 2.189 20 0 BEADMM CC(C)C[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000334459359 388446551 /nfs/dbraw/zinc/44/65/51/388446551.db2.gz SLLSWUVFTWJUEI-LBPRGKRZSA-N -1 1 248.326 2.438 20 0 BEADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000397815544 388502266 /nfs/dbraw/zinc/50/22/66/388502266.db2.gz FLEQGXLYFPDDBW-DIYOJNKTSA-N -1 1 235.258 2.060 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC1(F)F ZINC000648940489 388509790 /nfs/dbraw/zinc/50/97/90/388509790.db2.gz FYTGHEAKLDMTFF-YFKPBYRVSA-N -1 1 231.173 2.125 20 0 BEADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000135994491 388518143 /nfs/dbraw/zinc/51/81/43/388518143.db2.gz JSHUCBXYVCPWIH-HTQZYQBOSA-N -1 1 239.702 2.431 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@H](C)CC)n1 ZINC000005154894 256771070 /nfs/dbraw/zinc/77/10/70/256771070.db2.gz BFGWXDFJEVZRSA-SSDOTTSWSA-N -1 1 212.318 2.223 20 0 BEADMM COCC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005158 388602967 /nfs/dbraw/zinc/60/29/67/388602967.db2.gz IMSQMABWQWPTIP-UHFFFAOYSA-N -1 1 241.262 2.142 20 0 BEADMM C[C@]1(C(=O)Nc2cccc(F)c2[O-])CCCO1 ZINC000530005503 388603655 /nfs/dbraw/zinc/60/36/55/388603655.db2.gz LPCYQCYVMATBKW-GFCCVEGCSA-N -1 1 239.246 2.039 20 0 BEADMM CO[C@@H](C(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000530006845 388603681 /nfs/dbraw/zinc/60/36/81/388603681.db2.gz WATPENXTTGAYNE-LLVKDONJSA-N -1 1 241.262 2.141 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC1(F)F ZINC000530006867 388603754 /nfs/dbraw/zinc/60/37/54/388603754.db2.gz VYZRCVMGTITAOU-RXMQYKEDSA-N -1 1 231.173 2.125 20 0 BEADMM CCC1(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000080036146 388552004 /nfs/dbraw/zinc/55/20/04/388552004.db2.gz NMRWIESEYILWJI-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM O=C(NCCCC1CC1)c1cc(F)ccc1[O-] ZINC000080029045 388552224 /nfs/dbraw/zinc/55/22/24/388552224.db2.gz VZJDZUTVTBVYQJ-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CCC[C@H](C)S(=O)(=O)[N-]c1ncsc1C ZINC000530141254 388615860 /nfs/dbraw/zinc/61/58/60/388615860.db2.gz XAMZFFSCBFEHTA-ZETCQYMHSA-N -1 1 248.373 2.382 20 0 BEADMM CC(C)(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC000328556805 388645714 /nfs/dbraw/zinc/64/57/14/388645714.db2.gz ATGQBNFMJRHANU-UHFFFAOYSA-N -1 1 248.326 2.343 20 0 BEADMM O=C(NCC1CCCC1)c1c([O-])cccc1F ZINC000228834767 388775156 /nfs/dbraw/zinc/77/51/56/388775156.db2.gz DEJNQTNHEASPGR-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM C(N=c1nc(C2CCC2)[n-]o1)[C@H]1CCCS1 ZINC000556195866 388870995 /nfs/dbraw/zinc/87/09/95/388870995.db2.gz CYTWNCMBQPHOLQ-SECBINFHSA-N -1 1 239.344 2.067 20 0 BEADMM CC[C@H]1CC[C@H](N=c2[nH]c(C(=O)[O-])co2)CC1 ZINC000565041389 388909784 /nfs/dbraw/zinc/90/97/84/388909784.db2.gz QLVKHOJUPSSINY-KYZUINATSA-N -1 1 238.287 2.175 20 0 BEADMM CC[C@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000268192432 389002403 /nfs/dbraw/zinc/00/24/03/389002403.db2.gz FCNPJLPQUGAHFP-CABZTGNLSA-N -1 1 234.299 2.096 20 0 BEADMM Cc1cnc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000336104465 134084470 /nfs/dbraw/zinc/08/44/70/134084470.db2.gz MKOVIWLEYHQCNH-MNOVXSKESA-N -1 1 248.326 2.356 20 0 BEADMM CC(C)C(C)(C)CNC(=O)c1ncccc1[O-] ZINC000220946060 134315114 /nfs/dbraw/zinc/31/51/14/134315114.db2.gz ZVRJDQNUTXOJIS-UHFFFAOYSA-N -1 1 236.315 2.199 20 0 BEADMM CC1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000070261418 134913722 /nfs/dbraw/zinc/91/37/22/134913722.db2.gz DLOVYQSUZQYIPH-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM Cc1nccc(NCCCC(=O)[O-])c1Cl ZINC000263413283 135352648 /nfs/dbraw/zinc/35/26/48/135352648.db2.gz NAULFBNHRMLRPI-UHFFFAOYSA-N -1 1 228.679 2.320 20 0 BEADMM C[C@@]1(F)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000334572893 135731052 /nfs/dbraw/zinc/73/10/52/135731052.db2.gz BLIJOWABPRDDNJ-GFCCVEGCSA-N -1 1 241.237 2.105 20 0 BEADMM CN(CC1CCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001646217272 1172722212 /nfs/dbraw/zinc/72/22/12/1172722212.db2.gz XXUCGRDWUIODGQ-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CC(C)[C@@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000285655058 398080062 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/nfs/dbraw/zinc/83/08/02/166830802.db2.gz MVZWWWVMEKGZNU-UHFFFAOYSA-N -1 1 248.326 2.438 20 0 BEADMM CC(C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000019837231 166998769 /nfs/dbraw/zinc/99/87/69/166998769.db2.gz IQPBAXBRHQTSIW-UHFFFAOYSA-N -1 1 227.691 2.431 20 0 BEADMM CC(C)OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000162398302 167190521 /nfs/dbraw/zinc/19/05/21/167190521.db2.gz RZMBAKXPMNCNOV-UHFFFAOYSA-N -1 1 243.690 2.409 20 0 BEADMM CSc1nc(=O)c2sc(C)cc2[n-]1 ZINC000656491030 411285272 /nfs/dbraw/zinc/28/52/72/411285272.db2.gz JRTOVCGLKIYKPG-UHFFFAOYSA-N -1 1 212.299 2.427 20 0 BEADMM Cc1cnc(SCCCCF)[n-]c1=O ZINC000566498038 411296445 /nfs/dbraw/zinc/29/64/45/411296445.db2.gz SNBAVTRYFHTNCN-UHFFFAOYSA-N -1 1 216.281 2.332 20 0 BEADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000403581496 411350893 /nfs/dbraw/zinc/35/08/93/411350893.db2.gz CAJQEEZXVPSGGZ-ATZCPNFKSA-N -1 1 249.285 2.450 20 0 BEADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])cc1F ZINC000403627012 411351989 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20 0 BEADMM O=C([O-])CCNc1ccnc2cc(F)ccc21 ZINC000212852437 591432234 /nfs/dbraw/zinc/43/22/34/591432234.db2.gz WROPXMMYDJKVPH-UHFFFAOYSA-N -1 1 234.230 2.261 20 0 BEADMM CCCCCC[C@H](CC)C(=O)Nc1nnn[n-]1 ZINC000135467434 592013676 /nfs/dbraw/zinc/01/36/76/592013676.db2.gz HPTMHYOVZJIGQO-VIFPVBQESA-N -1 1 239.323 2.135 20 0 BEADMM CCCCCC[C@H](CC)C(=O)Nc1nn[n-]n1 ZINC000135467434 592013679 /nfs/dbraw/zinc/01/36/79/592013679.db2.gz HPTMHYOVZJIGQO-VIFPVBQESA-N -1 1 239.323 2.135 20 0 BEADMM CCCCCC[N-]S(=O)(=O)c1ccns1 ZINC000884872198 592024956 /nfs/dbraw/zinc/02/49/56/592024956.db2.gz JGELXIQFRVHFIM-UHFFFAOYSA-N -1 1 248.373 2.002 20 0 BEADMM CCC(C)(CC)[N-]S(=O)(=O)c1ccns1 ZINC000885010868 592033710 /nfs/dbraw/zinc/03/37/10/592033710.db2.gz VXDQQTGQIDGVDR-UHFFFAOYSA-N -1 1 248.373 2.000 20 0 BEADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc([O-])c(F)c1 ZINC000885997014 592125523 /nfs/dbraw/zinc/12/55/23/592125523.db2.gz KUIIKCLCAJXCSO-YGRLFVJLSA-N -1 1 249.285 2.451 20 0 BEADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc([O-])cc1F ZINC000889598351 592626046 /nfs/dbraw/zinc/62/60/46/592626046.db2.gz AELJITJMUWOAKC-ZDSQKVDBSA-N -1 1 249.285 2.450 20 0 BEADMM CC(C)[C@@H](N[C@@H](C)c1ccco1)C(=O)[O-] ZINC000043429731 598197285 /nfs/dbraw/zinc/19/72/85/598197285.db2.gz MDRZMBMPVQWBMO-WCBMZHEXSA-N -1 1 211.261 2.039 20 0 BEADMM CCC[C@@H](CC)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095276761 599419479 /nfs/dbraw/zinc/41/94/79/599419479.db2.gz WHRPQWROBYJHBH-SECBINFHSA-N -1 1 246.318 2.252 20 0 BEADMM CCC[C@@H](CC)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095276761 599419481 /nfs/dbraw/zinc/41/94/81/599419481.db2.gz WHRPQWROBYJHBH-SECBINFHSA-N -1 1 246.318 2.252 20 0 BEADMM CCC[C@H](CC)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095276762 599419965 /nfs/dbraw/zinc/41/99/65/599419965.db2.gz WHRPQWROBYJHBH-VIFPVBQESA-N -1 1 246.318 2.252 20 0 BEADMM CCC[C@H](CC)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095276762 599419967 /nfs/dbraw/zinc/41/99/67/599419967.db2.gz WHRPQWROBYJHBH-VIFPVBQESA-N -1 1 246.318 2.252 20 0 BEADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)[O-])o1 ZINC000818885379 600857753 /nfs/dbraw/zinc/85/77/53/600857753.db2.gz SBKKEYLYUFYBMS-ONGXEEELSA-N -1 1 237.299 2.446 20 0 BEADMM Cc1ccc(CN2CCN(C(=O)[O-])C[C@@H]2C)cc1 ZINC000740125343 602740256 /nfs/dbraw/zinc/74/02/56/602740256.db2.gz CXNQWMSSJWCXKO-LBPRGKRZSA-N -1 1 248.326 2.179 20 0 BEADMM O=C([O-])N[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000740596457 604372982 /nfs/dbraw/zinc/37/29/82/604372982.db2.gz YBPXIXKGRDIGPP-LLPBQKLSSA-N -1 1 246.310 2.042 20 0 BEADMM O=C([N-]CCCc1ccsc1)C(F)(F)F ZINC001309960439 991293783 /nfs/dbraw/zinc/29/37/83/991293783.db2.gz OLWYMYKRQIYHIQ-UHFFFAOYSA-N -1 1 237.246 2.359 20 0 BEADMM Cc1ccc(CN2CC(C(=O)[O-])C2)cc1Cl ZINC000235868207 632844052 /nfs/dbraw/zinc/84/40/52/632844052.db2.gz PVLGJFXYPHKUGC-UHFFFAOYSA-N -1 1 239.702 2.165 20 0 BEADMM C[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188353673 635291308 /nfs/dbraw/zinc/29/13/08/635291308.db2.gz ZFCJYRAIWQJHBH-PHDIDXHHSA-N -1 1 226.663 2.035 20 0 BEADMM Cc1cc(CNC/C=C\Cl)oc1C(=O)[O-] ZINC000905809768 637936322 /nfs/dbraw/zinc/93/63/22/637936322.db2.gz CREQLFMMPITFGW-IHWYPQMZSA-N -1 1 229.663 2.128 20 0 BEADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909972883 639294673 /nfs/dbraw/zinc/29/46/73/639294673.db2.gz RMKKTOOORZVGAW-UHFFFAOYSA-N -1 1 213.183 2.019 20 0 BEADMM Cc1ccnc(NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC000910422900 639443314 /nfs/dbraw/zinc/44/33/14/639443314.db2.gz QURAEPNBAPRVHO-NSHDSACASA-N -1 1 234.299 2.303 20 0 BEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC1(F)F ZINC000910985970 639557167 /nfs/dbraw/zinc/55/71/67/639557167.db2.gz CZFOJAWLTYUTMV-YFKPBYRVSA-N -1 1 249.163 2.264 20 0 BEADMM CCC1CCC(N=Nc2nc(C)cc(=O)[n-]2)CC1 ZINC000058621528 640727320 /nfs/dbraw/zinc/72/73/20/640727320.db2.gz UJKWTNOPRHMWKQ-UHFFFAOYSA-N -1 1 248.330 2.446 20 0 BEADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000228863474 640901930 /nfs/dbraw/zinc/90/19/30/640901930.db2.gz AYZWFWGPMWIAEI-MRVPVSSYSA-N -1 1 247.216 2.400 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccc(O)c1 ZINC000935239347 641371019 /nfs/dbraw/zinc/37/10/19/641371019.db2.gz LJUUNNURUSURKP-SNVBAGLBSA-N -1 1 249.310 2.486 20 0 BEADMM C[C@H]1C[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000049249447 641713280 /nfs/dbraw/zinc/71/32/80/641713280.db2.gz YMMCSTDNIRGTMM-YUMQZZPRSA-N -1 1 239.702 2.431 20 0 BEADMM C[C@@H]([N-]C(=O)C(F)(F)F)C1CCCC1 ZINC000078678627 641944137 /nfs/dbraw/zinc/94/41/37/641944137.db2.gz XCPPRZBDAJHCQY-ZCFIWIBFSA-N -1 1 209.211 2.244 20 0 BEADMM Cc1[n-]n(-c2ccccc2C)c(=O)c1F ZINC000917347352 642044657 /nfs/dbraw/zinc/04/46/57/642044657.db2.gz BLSZCGUTFPSWKQ-SNVBAGLBSA-N -1 1 206.220 2.056 20 0 BEADMM Cc1cnc(S[C@H](C)C2CC2)[n-]c1=O ZINC000917779076 642122219 /nfs/dbraw/zinc/12/22/19/642122219.db2.gz XLMQHLOOKJYKFI-SSDOTTSWSA-N -1 1 210.302 2.381 20 0 BEADMM Cc1cc([N-]C(=O)c2scnc2Cl)no1 ZINC000919693990 642375935 /nfs/dbraw/zinc/37/59/35/642375935.db2.gz LNLPELWCHGHBRE-UHFFFAOYSA-N -1 1 243.675 2.345 20 0 BEADMM C[C@H]1CCN1C(=O)c1c([O-])cccc1Cl 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/nfs/dbraw/zinc/31/98/03/712319803.db2.gz PGHKXGOYRWFHQE-SECBINFHSA-N -1 1 235.258 2.227 20 0 BEADMM CC(F)(F)CCC(=O)[N-]OCC(F)(F)F ZINC000713931067 712473710 /nfs/dbraw/zinc/47/37/10/712473710.db2.gz NBXSKUVPSDDGBW-UHFFFAOYSA-N -1 1 235.152 2.032 20 0 BEADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(C)o1 ZINC000037474762 712647960 /nfs/dbraw/zinc/64/79/60/712647960.db2.gz GZJJCYBAWQLMIV-VIFPVBQESA-N -1 1 225.288 2.273 20 0 BEADMM CCC[C@@](C)(NCc1cc(C)co1)C(=O)[O-] ZINC000718057394 712740001 /nfs/dbraw/zinc/74/00/01/712740001.db2.gz DFOFEAUWAUDFKR-GFCCVEGCSA-N -1 1 225.288 2.321 20 0 BEADMM [O-]c1c(F)cc(CN2CCCCO2)cc1F ZINC001140988292 960782444 /nfs/dbraw/zinc/78/24/44/960782444.db2.gz VTYYCFVFCUIWFA-UHFFFAOYSA-N -1 1 229.226 2.198 20 0 BEADMM COC(=O)CCCc1cc(F)c([O-])c(F)c1 ZINC000260289249 1166475423 /nfs/dbraw/zinc/47/54/23/1166475423.db2.gz WMLQGADPTGNVBB-UHFFFAOYSA-N -1 1 230.210 2.166 20 0 BEADMM O=C(NC/C=C/C1CC1)c1ccc([O-])cc1F ZINC000393652398 1166495942 /nfs/dbraw/zinc/49/59/42/1166495942.db2.gz FBJRGNOLABYYBE-OWOJBTEDSA-N -1 1 235.258 2.227 20 0 BEADMM COc1cc(Nc2cncn2C)ccc1[S-] ZINC001211252280 970198343 /nfs/dbraw/zinc/19/83/43/970198343.db2.gz ITGAKBZOMVXXHX-UHFFFAOYSA-N -1 1 235.312 2.461 20 0 BEADMM CCC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000396784311 1166766479 /nfs/dbraw/zinc/76/64/79/1166766479.db2.gz LYRCKSFZSXCRQJ-SNVBAGLBSA-N -1 1 234.299 2.192 20 0 BEADMM C[C@H]1CCCC[C@@H]1Oc1cnc[n-]c1=O ZINC001227049273 975238399 /nfs/dbraw/zinc/23/83/99/975238399.db2.gz TXIOXEHPUODBJR-IUCAKERBSA-N -1 1 208.261 2.140 20 0 BEADMM COCC(=O)c1ccc([O-])cc1OC1CCC1 ZINC001227168059 975300084 /nfs/dbraw/zinc/30/00/84/975300084.db2.gz DNJOVVNNXONRJQ-UHFFFAOYSA-N -1 1 236.267 2.153 20 0 BEADMM O=c1[n-]cncc1O[C@H]1CCC=CCCC1 ZINC001227049236 1167256864 /nfs/dbraw/zinc/25/68/64/1167256864.db2.gz SRMFBMRRHIJKOL-JTQLQIEISA-N -1 1 220.272 2.450 20 0 BEADMM CC(C)(C)O[N-]C(=O)Cc1ccc(F)cc1F ZINC000148995003 1167375404 /nfs/dbraw/zinc/37/54/04/1167375404.db2.gz PTESDYRIVDEOSK-UHFFFAOYSA-N -1 1 243.253 2.354 20 0 BEADMM CCC[C@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230280089 977160164 /nfs/dbraw/zinc/16/01/64/977160164.db2.gz LVZAMBPUJUBMNI-QMMMGPOBSA-N -1 1 226.276 2.154 20 0 BEADMM CN(Cc1ccc(Cl)c([O-])c1)C1(C)COC1 ZINC001231737815 977719055 /nfs/dbraw/zinc/71/90/55/977719055.db2.gz WEGPGLHTYUEZFQ-UHFFFAOYSA-N -1 1 241.718 2.266 20 0 BEADMM O=c1ccc(Nc2ccnc(Cl)c2[O-])c[nH]1 ZINC001176127944 977966592 /nfs/dbraw/zinc/96/65/92/977966592.db2.gz XIYDTYDFVWIZFW-UHFFFAOYSA-N -1 1 237.646 2.285 20 0 BEADMM O=C(NCCC1CCC1)c1cccc([O-])c1F ZINC001176890866 978229982 /nfs/dbraw/zinc/22/99/82/978229982.db2.gz SJDCIMYYSXHSND-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM Cc1ccoc1CN([C@H](C)C(=O)[O-])C1CCC1 ZINC001600608350 978707336 /nfs/dbraw/zinc/70/73/36/978707336.db2.gz WKLQWUNBKZXDDD-SNVBAGLBSA-N -1 1 237.299 2.416 20 0 BEADMM CC(C)OCCN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001603923414 979542744 /nfs/dbraw/zinc/54/27/44/979542744.db2.gz LTAHRSARCKHLEP-VIFPVBQESA-N -1 1 241.287 2.053 20 0 BEADMM [O-]c1cccc(-c2nccc3n[nH]nc32)c1Cl ZINC001242798682 1168512211 /nfs/dbraw/zinc/51/22/11/1168512211.db2.gz POHFRENRYCCCAM-UHFFFAOYSA-N -1 1 246.657 2.379 20 0 BEADMM CC(C)(C)[C@@H]1CCN1C(=O)c1cncc([O-])c1 ZINC001347700639 981148646 /nfs/dbraw/zinc/14/86/46/981148646.db2.gz NYOWQVOLCJXUGN-NSHDSACASA-N -1 1 234.299 2.048 20 0 BEADMM O=C(Nc1cc(F)c(F)cc1[O-])OCCF ZINC001194966488 982007435 /nfs/dbraw/zinc/00/74/35/982007435.db2.gz FVJBHIKSPVBQQP-UHFFFAOYSA-N -1 1 235.161 2.188 20 0 BEADMM CCCONC(=O)c1cc(Cl)ccc1[O-] ZINC000686770572 1169112376 /nfs/dbraw/zinc/11/23/76/1169112376.db2.gz PJUMEUONTJTQLH-UHFFFAOYSA-N -1 1 229.663 2.117 20 0 BEADMM CCCNC(=O)Nc1cc([O-])c(F)cc1F ZINC001202592409 984101811 /nfs/dbraw/zinc/10/18/11/984101811.db2.gz WZPSGIOWMVZIKY-UHFFFAOYSA-N -1 1 230.214 2.202 20 0 BEADMM [O-]c1cc(F)c(CN2CCCCO2)c(F)c1 ZINC001144542456 972861676 /nfs/dbraw/zinc/86/16/76/972861676.db2.gz YNYFUPMCLRLVQI-UHFFFAOYSA-N -1 1 229.226 2.198 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cccn2ncnc12 ZINC001243505289 970780163 /nfs/dbraw/zinc/78/01/63/970780163.db2.gz ZAZCSKYCFKUJQP-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cn1cncc1-c1cc(F)cc(F)c1[O-] ZINC001243505530 970779512 /nfs/dbraw/zinc/77/95/12/970779512.db2.gz ZXADKTOVZNSXJO-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Cc1nonc1[N-]c1cc(F)c(F)c(F)c1N ZINC001216007094 970903024 /nfs/dbraw/zinc/90/30/24/970903024.db2.gz BMEYKXPVHXDDAG-UHFFFAOYSA-N -1 1 244.176 2.121 20 0 BEADMM C[C@H]1C[C@H](OCC[P@](=O)([O-])O)C[C@@H](C)C1 ZINC001224606108 973795604 /nfs/dbraw/zinc/79/56/04/973795604.db2.gz MCBJYOVIZLKWDS-MYJAWHEDSA-N -1 1 236.248 2.005 20 0 BEADMM C[C@@H]1CC[C@H](OCC[P@](=O)([O-])O)C[C@@H]1C ZINC001224603656 973794008 /nfs/dbraw/zinc/79/40/08/973794008.db2.gz AWEXRQBUEFRRIT-UTLUCORTSA-N -1 1 236.248 2.005 20 0 BEADMM COc1cc([N-]c2nonc2N)ccc1C1CC1 ZINC001216247948 971004372 /nfs/dbraw/zinc/00/43/72/971004372.db2.gz CHYWIXAKIJVSCA-UHFFFAOYSA-N -1 1 246.270 2.281 20 0 BEADMM CC(=O)c1cc(-c2nnc(C3CCCC3)o2)[nH]n1 ZINC001257499960 971416376 /nfs/dbraw/zinc/41/63/76/971416376.db2.gz UAJKQFQPCQWUKH-UHFFFAOYSA-N -1 1 246.270 2.320 20 0 BEADMM CC(=O)c1cc(-c2nnc(C3CCCC3)o2)n[n-]1 ZINC001257499960 971416379 /nfs/dbraw/zinc/41/63/79/971416379.db2.gz UAJKQFQPCQWUKH-UHFFFAOYSA-N -1 1 246.270 2.320 20 0 BEADMM [O-]c1cnccc1-c1nnc(C2CCCC2)o1 ZINC001257560713 971453254 /nfs/dbraw/zinc/45/32/54/971453254.db2.gz SFDLUSTXTSZCQC-UHFFFAOYSA-N -1 1 231.255 2.495 20 0 BEADMM C/C(=C\CN[C@H](C)c1nc(C)cs1)C(=O)[O-] ZINC000380672263 971712558 /nfs/dbraw/zinc/71/25/58/971712558.db2.gz SXRUSTHCABRPPV-ILFKPUCNSA-N -1 1 240.328 2.133 20 0 BEADMM CCOC[C@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225616520 974593295 /nfs/dbraw/zinc/59/32/95/974593295.db2.gz KLTZNLKTKWFRBJ-VIFPVBQESA-N -1 1 238.283 2.399 20 0 BEADMM Cc1nnc(S[C@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC000041064801 957384483 /nfs/dbraw/zinc/38/44/83/957384483.db2.gz APASVEMCDDRHJY-VIFPVBQESA-N -1 1 249.295 2.031 20 0 BEADMM 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Cc1ccc([O-])c(C(=O)Nc2ccsc2)n1 ZINC001195317922 982198710 /nfs/dbraw/zinc/19/87/10/982198710.db2.gz FRJKTEPASSKDEQ-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM Nc1nccc(F)c1-c1c(F)cc([O-])cc1F ZINC001241119795 982239874 /nfs/dbraw/zinc/23/98/74/982239874.db2.gz QISNOKVOSFBIGQ-UHFFFAOYSA-N -1 1 240.184 2.454 20 0 BEADMM Nc1cnccc1-c1c(F)cc([O-])cc1F ZINC001241118810 982240122 /nfs/dbraw/zinc/24/01/22/982240122.db2.gz GUWNBYAJEQDJOD-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM Nc1cc(-c2c(F)cc([O-])cc2F)ncc1F ZINC001241120373 982243423 /nfs/dbraw/zinc/24/34/23/982243423.db2.gz RCNQKOKXXNHVIV-UHFFFAOYSA-N -1 1 240.184 2.454 20 0 BEADMM [O-]c1cc(F)c(-c2ccc3nncn3c2)c(F)c1 ZINC001241122513 982247224 /nfs/dbraw/zinc/24/72/24/982247224.db2.gz QWCGVDNGVARNNI-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM O=c1nc(N[C@H]2C=CCCC2)cc(Cl)[n-]1 ZINC001351352423 982292469 /nfs/dbraw/zinc/29/24/69/982292469.db2.gz NPTHRRVRUQDXKR-ZETCQYMHSA-N -1 1 225.679 2.356 20 0 BEADMM Cn1ccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290594 982426141 /nfs/dbraw/zinc/42/61/41/982426141.db2.gz ANDQBBSJSONJQJ-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Nc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291934 982435109 /nfs/dbraw/zinc/43/51/09/982435109.db2.gz YZEUHHITUKPVFT-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM O=c1occcc1-c1c(F)ccc([O-])c1F ZINC001241294187 982439569 /nfs/dbraw/zinc/43/95/69/982439569.db2.gz XBFQHQGGSGOMHZ-UHFFFAOYSA-N -1 1 224.162 2.291 20 0 BEADMM CC(C)[C@@H](C)Sc1ccnc(-c2nnn[n-]2)c1 ZINC001589436665 982784937 /nfs/dbraw/zinc/78/49/37/982784937.db2.gz DYNIGHKMMBAIGF-MRVPVSSYSA-N -1 1 249.343 2.398 20 0 BEADMM CC(C)[C@@H](C)Sc1ccnc(-c2nn[n-]n2)c1 ZINC001589436665 982784948 /nfs/dbraw/zinc/78/49/48/982784948.db2.gz DYNIGHKMMBAIGF-MRVPVSSYSA-N -1 1 249.343 2.398 20 0 BEADMM CC(C)[C@H](C)Sc1ccnc(-c2nnn[n-]2)c1 ZINC001589436666 982786645 /nfs/dbraw/zinc/78/66/45/982786645.db2.gz DYNIGHKMMBAIGF-QMMMGPOBSA-N -1 1 249.343 2.398 20 0 BEADMM CC(C)[C@H](C)Sc1ccnc(-c2nn[n-]n2)c1 ZINC001589436666 982786657 /nfs/dbraw/zinc/78/66/57/982786657.db2.gz DYNIGHKMMBAIGF-QMMMGPOBSA-N -1 1 249.343 2.398 20 0 BEADMM C=CS(=O)(=O)[N-]c1cccc2ccoc21 ZINC001198620551 982826070 /nfs/dbraw/zinc/82/60/70/982826070.db2.gz MRZLLTVWOUJSPS-UHFFFAOYSA-N -1 1 223.253 2.318 20 0 BEADMM CCC(CC)COc1cccnc1-c1nnn[n-]1 ZINC001590434045 982947774 /nfs/dbraw/zinc/94/77/74/982947774.db2.gz BLLSISDORLVJCT-UHFFFAOYSA-N -1 1 247.302 2.077 20 0 BEADMM CCC(CC)COc1cccnc1-c1nn[n-]n1 ZINC001590434045 982947783 /nfs/dbraw/zinc/94/77/83/982947783.db2.gz BLLSISDORLVJCT-UHFFFAOYSA-N -1 1 247.302 2.077 20 0 BEADMM CC(C)Cc1ccccc1COCc1nn[n-]n1 ZINC001353925076 983085188 /nfs/dbraw/zinc/08/51/88/983085188.db2.gz DDLKJBNKTKCTPO-UHFFFAOYSA-N -1 1 246.314 2.115 20 0 BEADMM CC(C)NC(=S)Nc1ccc(F)cc1[O-] ZINC001200785748 983365545 /nfs/dbraw/zinc/36/55/45/983365545.db2.gz SPCJVFCWPZQLIR-UHFFFAOYSA-N -1 1 228.292 2.226 20 0 BEADMM COc1ncc(-c2ccc(F)cc2[O-])c(C)n1 ZINC001242218801 983421250 /nfs/dbraw/zinc/42/12/50/983421250.db2.gz QHIKHDMVEQATLK-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM COc1cnc(-c2cccc(C)c2[O-])nc1 ZINC001242342987 983594643 /nfs/dbraw/zinc/59/46/43/983594643.db2.gz KZJCQYJXYXGGKS-UHFFFAOYSA-N -1 1 216.240 2.166 20 0 BEADMM COc1nc(-c2cccc(C)c2[O-])ncc1F ZINC001242344010 983596083 /nfs/dbraw/zinc/59/60/83/983596083.db2.gz MDZDDDBIHQSHCQ-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM [O-]c1c(F)cccc1-c1cn2ncnc2cc1F ZINC001242354039 983635177 /nfs/dbraw/zinc/63/51/77/983635177.db2.gz PGAWNPUVJVNZQP-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM NC(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242800244 984173005 /nfs/dbraw/zinc/17/30/05/984173005.db2.gz KDKNLKLUYIJZFJ-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Nc1nccc(-c2cccc([O-])c2Cl)n1 ZINC001242800432 984173230 /nfs/dbraw/zinc/17/32/30/984173230.db2.gz HDUCZRMUHBXTBC-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM Cn1c(=O)cccc1-c1cccc([O-])c1Cl ZINC001242802205 984175649 /nfs/dbraw/zinc/17/56/49/984175649.db2.gz ALQXRPAWPYELSD-UHFFFAOYSA-N -1 1 235.670 2.411 20 0 BEADMM [O-]c1cc(-c2ncncc2F)ccc1F ZINC001243048619 984394590 /nfs/dbraw/zinc/39/45/90/984394590.db2.gz MIFDCBCLEZRPFX-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM COc1cnc(-c2ccc(F)c([O-])c2)nc1C ZINC001243048880 984396749 /nfs/dbraw/zinc/39/67/49/984396749.db2.gz PHRRLCKGIOCGRT-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM CCOc1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243049357 984400907 /nfs/dbraw/zinc/40/09/07/984400907.db2.gz RMLNXPCEKLVFQM-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM Cc1occc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001243063765 984453110 /nfs/dbraw/zinc/45/31/10/984453110.db2.gz GZLJDOWKNMBWAE-UHFFFAOYSA-N -1 1 241.246 2.068 20 0 BEADMM CCC[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001441674492 984482984 /nfs/dbraw/zinc/48/29/84/984482984.db2.gz SHVDAUVRUZQAPN-JTQLQIEISA-N -1 1 249.310 2.432 20 0 BEADMM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc([O-])c1F ZINC001444618933 984565124 /nfs/dbraw/zinc/56/51/24/984565124.db2.gz QUYWBOYZYFWCCN-DTWKUNHWSA-N -1 1 237.274 2.402 20 0 BEADMM CC(C)(C)O[N-]C(=O)C[C@@H]1OCc2ccccc21 ZINC001326783764 984822101 /nfs/dbraw/zinc/82/21/01/984822101.db2.gz FUZDRUQTNWKFKI-LBPRGKRZSA-N -1 1 249.310 2.494 20 0 BEADMM [O-]c1ccc(-c2ccc(=S)[nH]n2)c(F)c1F ZINC001243339022 984830451 /nfs/dbraw/zinc/83/04/51/984830451.db2.gz IAGBYZSYZXRPKS-UHFFFAOYSA-N -1 1 240.234 2.416 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1ccc2ncnn2c1 ZINC001243503591 985062726 /nfs/dbraw/zinc/06/27/26/985062726.db2.gz HKLJOVPSIADPJL-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cc1cc(N(C)C)nc(-c2cccc([O-])c2F)n1 ZINC001243543177 985077028 /nfs/dbraw/zinc/07/70/28/985077028.db2.gz FCZUHUWFRYYWGU-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM COc1cnc(-c2cccc([O-])c2F)nc1C ZINC001243543471 985078803 /nfs/dbraw/zinc/07/88/03/985078803.db2.gz WRZGJOIRYRIFLH-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM [O-]c1cccc(-c2ncc3c(n2)COC3)c1F ZINC001243547629 985097129 /nfs/dbraw/zinc/09/71/29/985097129.db2.gz ZCFQJVYIGGALCE-UHFFFAOYSA-N -1 1 232.214 2.019 20 0 BEADMM O=C(NC/C=C/Cl)c1ccc([O-])c(F)c1 ZINC001456879720 985172915 /nfs/dbraw/zinc/17/29/15/985172915.db2.gz HDCGXGUXZMKVAW-DAFODLJHSA-N -1 1 229.638 2.014 20 0 BEADMM CC(=CC(=O)Nc1c[n-][nH]c1=O)c1ccccc1 ZINC001457822355 985240303 /nfs/dbraw/zinc/24/03/03/985240303.db2.gz KWVLMVIOEYWEIL-CLFYSBASSA-N -1 1 243.266 2.157 20 0 BEADMM Cn1cc(-c2cc(F)c([O-])c(F)c2)ccc1=O ZINC001244097320 985807497 /nfs/dbraw/zinc/80/74/97/985807497.db2.gz UGDUYRFORQVWJP-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM NC(=O)c1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097633 985814530 /nfs/dbraw/zinc/81/45/30/985814530.db2.gz RQKZGELCQPBUMW-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM COC1CCC(=Nc2ncccc2[O-])CC1 ZINC001212873524 985824289 /nfs/dbraw/zinc/82/42/89/985824289.db2.gz NNLQKUQVTXUKJK-SNVBAGLBSA-N -1 1 220.272 2.282 20 0 BEADMM Cc1nc2cnc(-c3cc(C)ccc3[O-])nc2[nH]1 ZINC001244403303 986071704 /nfs/dbraw/zinc/07/17/04/986071704.db2.gz TWHQNPUPQIXHLL-UHFFFAOYSA-N -1 1 240.266 2.294 20 0 BEADMM Nc1nccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538560 986231117 /nfs/dbraw/zinc/23/11/17/986231117.db2.gz NBHSPALZHUBNBY-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM Cc1ccc(NC(=O)c2cnncc2[O-])cc1C ZINC001463620983 986564410 /nfs/dbraw/zinc/56/44/10/986564410.db2.gz NOPJEGUZDZUXHT-UHFFFAOYSA-N -1 1 243.266 2.051 20 0 BEADMM CCN(C(=O)c1ccc(F)c([O-])c1)C(C)C ZINC001464347332 986624187 /nfs/dbraw/zinc/62/41/87/986624187.db2.gz DCVLQUQEHLEYJH-UHFFFAOYSA-N -1 1 225.263 2.402 20 0 BEADMM CC(C)CNC(=S)Nc1ccc(F)cc1[O-] ZINC001245242741 986761773 /nfs/dbraw/zinc/76/17/73/986761773.db2.gz KSZQOYWNNNODCO-UHFFFAOYSA-N -1 1 242.319 2.474 20 0 BEADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1O ZINC001466230448 986784460 /nfs/dbraw/zinc/78/44/60/986784460.db2.gz CABSLLMAQGROPY-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccc[nH]1 ZINC001466619272 986814514 /nfs/dbraw/zinc/81/45/14/986814514.db2.gz MDKMJQHBAMQFFX-MRVPVSSYSA-N -1 1 248.257 2.350 20 0 BEADMM CC(C)n1nccc(-c2c([O-])cccc2F)c1=O ZINC001245653930 987025781 /nfs/dbraw/zinc/02/57/81/987025781.db2.gz HKQJKRPEDKZOQV-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM O=c1occcc1-c1c([O-])cccc1F ZINC001245657205 987046964 /nfs/dbraw/zinc/04/69/64/987046964.db2.gz XGOHEKCAMDSMMM-UHFFFAOYSA-N -1 1 206.172 2.152 20 0 BEADMM Cn1cccc1C(=O)Nc1cccc(F)c1[O-] ZINC001471166431 987081458 /nfs/dbraw/zinc/08/14/58/987081458.db2.gz JRIYRZWXWUWZMA-UHFFFAOYSA-N -1 1 234.230 2.122 20 0 BEADMM C/C=C(/C)C(=O)Nc1cccc(F)c1[O-] ZINC001471166821 987082501 /nfs/dbraw/zinc/08/25/01/987082501.db2.gz RCNFYHNBQOHGAN-CLTKARDFSA-N -1 1 209.220 2.436 20 0 BEADMM [O-]c1ccc(F)c(-c2cnnnc2)c1Cl ZINC001245832980 987094712 /nfs/dbraw/zinc/09/47/12/987094712.db2.gz WILGVIYEGBSTPR-UHFFFAOYSA-N -1 1 225.610 2.037 20 0 BEADMM Cc1cnc(NC(=O)c2ccc([O-])c(F)c2)o1 ZINC001471676744 987111974 /nfs/dbraw/zinc/11/19/74/987111974.db2.gz INTWJRBDAPDEIB-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM CCc1cc(=O)n(-c2ccc(F)c(F)c2)[n-]1 ZINC001245916134 987140735 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CCc1c(C(C)C)[n-]n([C@H]2CCCOC2)c1=O ZINC000634622535 343022722 /nfs/dbraw/zinc/02/27/22/343022722.db2.gz HRZSFQTVHMTHRB-QWRGUYRKSA-N -1 1 238.331 2.046 20 0 BEADMM CCc1c(C(C)C)[n-]n([C@H]2CCCOC2)c1=O ZINC000634622536 343022805 /nfs/dbraw/zinc/02/28/05/343022805.db2.gz HRZSFQTVHMTHRB-WDEREUQCSA-N -1 1 238.331 2.046 20 0 BEADMM O=c1c2c([n-]n1[C@@H]1CCSC1)CCCCC2 ZINC000634627944 343033982 /nfs/dbraw/zinc/03/39/82/343033982.db2.gz OCEYWGNHZNWQTA-ZJUUUORDSA-N -1 1 238.356 2.270 20 0 BEADMM O=C([O-])c1cccc2c1CC[N@@H+](CCCF)C2 ZINC000124572721 343163477 /nfs/dbraw/zinc/16/34/77/343163477.db2.gz PNBMYYKQQSTUKF-UHFFFAOYSA-N -1 1 237.274 2.103 20 0 BEADMM CCCCN(CC)C(=O)c1ncccc1[O-] ZINC000037760524 343353964 /nfs/dbraw/zinc/35/39/64/343353964.db2.gz KOJGEZORRZLJRO-UHFFFAOYSA-N -1 1 222.288 2.049 20 0 BEADMM Cc1ccc(C)c(SCc2nc(=O)n(C)[n-]2)c1 ZINC000335670785 136313125 /nfs/dbraw/zinc/31/31/25/136313125.db2.gz JMIDUOUIYDFJRQ-UHFFFAOYSA-N -1 1 249.339 2.018 20 0 BEADMM C[C@@H]1CC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335721310 136345559 /nfs/dbraw/zinc/34/55/59/136345559.db2.gz CNRCDXBJLKAHNG-SVRRBLITSA-N -1 1 241.237 2.199 20 0 BEADMM Cc1cnc(C(=O)N2C[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000335851903 136354148 /nfs/dbraw/zinc/35/41/48/136354148.db2.gz GWUCGTNYZKTJER-MWLCHTKSSA-N -1 1 248.326 2.356 20 0 BEADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cncc([O-])c1 ZINC000335914412 344085524 /nfs/dbraw/zinc/08/55/24/344085524.db2.gz FKMMDNHUHRFVTG-SNVBAGLBSA-N -1 1 246.310 2.192 20 0 BEADMM CC1(C)CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000094273069 344327685 /nfs/dbraw/zinc/32/76/85/344327685.db2.gz KVESUKTWWHOPCH-NSHDSACASA-N -1 1 234.299 2.096 20 0 BEADMM CCc1cc2c([n-]c(-c3ccon3)nc2=O)s1 ZINC000080618737 345367090 /nfs/dbraw/zinc/36/70/90/345367090.db2.gz LQYCCBZZNTVGOG-UHFFFAOYSA-N -1 1 247.279 2.202 20 0 BEADMM CC[C@@H](C)N(CC)C(=O)c1cncc([O-])c1 ZINC000082650878 345572075 /nfs/dbraw/zinc/57/20/75/345572075.db2.gz GRMDDXRJAZTOIP-SECBINFHSA-N -1 1 222.288 2.048 20 0 BEADMM Cc1ccc(C)c(SCc2nn[n-]n2)c1 ZINC000095322551 345685740 /nfs/dbraw/zinc/68/57/40/345685740.db2.gz ZGQYVKNCRIITAL-UHFFFAOYSA-N -1 1 220.301 2.109 20 0 BEADMM C[C@@H]1CC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000230570602 345913114 /nfs/dbraw/zinc/91/31/14/345913114.db2.gz PPRUKKZPTKXWRA-RNFRBKRXSA-N -1 1 209.211 2.101 20 0 BEADMM CC[C@@H]1C[C@H]1CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000387797609 347090101 /nfs/dbraw/zinc/09/01/01/347090101.db2.gz HPDBABCNAPDWRC-HLTSFMKQSA-N -1 1 241.360 2.125 20 0 BEADMM Cc1cccc(CNC(=O)c2ncccc2[O-])c1 ZINC000037760798 179088575 /nfs/dbraw/zinc/08/85/75/179088575.db2.gz HKFDIUKZYRISJK-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM Cc1cnc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000336521919 187369483 /nfs/dbraw/zinc/36/94/83/187369483.db2.gz KQFBHBUILJIOBP-ONGXEEELSA-N -1 1 248.326 2.356 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])cn1)[C@@H]1CC1(C)C ZINC001639417456 1172104089 /nfs/dbraw/zinc/10/40/89/1172104089.db2.gz WBTPJUKQYVMUAM-QWRGUYRKSA-N -1 1 248.326 2.342 20 0 BEADMM 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CCc1cnc(C[N-]c2nc(C(C)C)no2)o1 ZINC000281554868 351897736 /nfs/dbraw/zinc/89/77/36/351897736.db2.gz UAEZEIRMBIRWDM-UHFFFAOYSA-N -1 1 236.275 2.356 20 0 BEADMM Cn1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000328337601 180660765 /nfs/dbraw/zinc/66/07/65/180660765.db2.gz KOODNBUPEGOIAD-UHFFFAOYSA-N -1 1 237.690 2.391 20 0 BEADMM CC(C)COc1ccccc1[N-]S(C)(=O)=O ZINC000070263404 187595683 /nfs/dbraw/zinc/59/56/83/187595683.db2.gz WUVBBLPRKQXYJK-UHFFFAOYSA-N -1 1 243.328 2.093 20 0 BEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])C1CCC1 ZINC000152511919 538104402 /nfs/dbraw/zinc/10/44/02/538104402.db2.gz WQHCWCKEQJLJKW-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM CC(C)([N-]C(=O)C(F)(F)F)C1CCC1 ZINC000307569042 352657310 /nfs/dbraw/zinc/65/73/10/352657310.db2.gz VHVQLTDFVYAJRT-UHFFFAOYSA-N -1 1 209.211 2.244 20 0 BEADMM Cc1cnc(C(=O)N(C)[C@@H](C)C(C)C)c([O-])c1 ZINC000334185847 352774568 /nfs/dbraw/zinc/77/45/68/352774568.db2.gz FOQPHOQYOGIKRN-JTQLQIEISA-N -1 1 236.315 2.212 20 0 BEADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])on1 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/nfs/dbraw/zinc/05/19/72/355051972.db2.gz FKUOZUIHUNNQBE-UHFFFAOYSA-N -1 1 243.665 2.087 20 0 BEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000335281564 355272159 /nfs/dbraw/zinc/27/21/59/355272159.db2.gz BLICFZUKTOJMGQ-GHMZBOCLSA-N -1 1 248.326 2.499 20 0 BEADMM COCc1nc(=N[C@H](C)CC(C)(C)C)s[n-]1 ZINC000413349584 191373684 /nfs/dbraw/zinc/37/36/84/191373684.db2.gz GYVNTLGKTPEARJ-MRVPVSSYSA-N -1 1 243.376 2.343 20 0 BEADMM O=C(C[C@@H]1CCCO1)Nc1c([O-])cccc1F ZINC000608366984 355378856 /nfs/dbraw/zinc/37/88/56/355378856.db2.gz FIELNAZOYNXWFV-QMMMGPOBSA-N -1 1 239.246 2.039 20 0 BEADMM Cc1cnc(C(=O)N(C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC000335912656 356131411 /nfs/dbraw/zinc/13/14/11/356131411.db2.gz KTIQIJNBZHJXAK-JTQLQIEISA-N -1 1 248.326 2.356 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000336102835 134083689 /nfs/dbraw/zinc/08/36/89/134083689.db2.gz FSTUWLHJRRACTR-GHMZBOCLSA-N -1 1 248.326 2.214 20 0 BEADMM CC[C@H](C)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000617641346 356256835 /nfs/dbraw/zinc/25/68/35/356256835.db2.gz NDXZBGMKJXSMTH-JTQLQIEISA-N -1 1 249.310 2.127 20 0 BEADMM CS[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000609851234 356487498 /nfs/dbraw/zinc/48/74/98/356487498.db2.gz YAMAJSPBMKPNBQ-ZCFIWIBFSA-N -1 1 229.276 2.221 20 0 BEADMM [O-]c1ccc(F)cc1-c1nc(-c2ccon2)no1 ZINC000350563910 366298681 /nfs/dbraw/zinc/29/86/81/366298681.db2.gz CVWQCRHMZYKCBK-UHFFFAOYSA-N -1 1 247.185 2.236 20 0 BEADMM CC(=O)c1[n-]c(=NCc2ccccn2)sc1C ZINC000450207596 202096804 /nfs/dbraw/zinc/09/68/04/202096804.db2.gz GBLHXYMNXNOVBE-UHFFFAOYSA-N -1 1 247.323 2.083 20 0 BEADMM CC(C)CC1(CN=c2[nH]c(C(=O)[O-])co2)CC1 ZINC000392230236 357143944 /nfs/dbraw/zinc/14/39/44/357143944.db2.gz WHSNUFWFASHXIJ-UHFFFAOYSA-N -1 1 238.287 2.033 20 0 BEADMM Cc1onc(CN2CCCC2(C)C)c1C(=O)[O-] ZINC000582552021 357333626 /nfs/dbraw/zinc/33/36/26/357333626.db2.gz UVNBYCZCOWBVHT-UHFFFAOYSA-N -1 1 238.287 2.056 20 0 BEADMM CC1(C)C[C@]1(C)NC(=O)c1cccc([O-])c1F ZINC001641102189 1172222239 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/nfs/dbraw/zinc/75/09/59/363750959.db2.gz SUBNEMGXYQGLJB-ZDUSSCGKSA-N -1 1 230.311 2.473 20 0 BEADMM Cc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000164980799 541307984 /nfs/dbraw/zinc/30/79/84/541307984.db2.gz PLPRDYZGWGLVPE-UHFFFAOYSA-N -1 1 237.262 2.294 20 0 BEADMM CC(C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630693174 364458684 /nfs/dbraw/zinc/45/86/84/364458684.db2.gz LJCQMXRCJSZQLS-UHFFFAOYSA-N -1 1 241.718 2.455 20 0 BEADMM CCCC[C@H](C)N(C)C(=O)c1ccc([O-])cn1 ZINC001642041210 1172319740 /nfs/dbraw/zinc/31/97/40/1172319740.db2.gz BTHUKUVNCSFKKD-JTQLQIEISA-N -1 1 236.315 2.438 20 0 BEADMM CC[C@@H](C)N(CC)C(=O)c1ncccc1[O-] ZINC000037760677 364603704 /nfs/dbraw/zinc/60/37/04/364603704.db2.gz AKPCOXQFRJYKDU-SECBINFHSA-N -1 1 222.288 2.048 20 0 BEADMM CC[C@@H](CC(C)C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615227379 364645749 /nfs/dbraw/zinc/64/57/49/364645749.db2.gz PUDQTPOOYSBQDZ-VIFPVBQESA-N -1 1 239.319 2.435 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CCC(C2CC2)CC1 ZINC001642083868 1172323183 /nfs/dbraw/zinc/32/31/83/1172323183.db2.gz SLBZAEURPXAZHY-UHFFFAOYSA-N -1 1 246.310 2.049 20 0 BEADMM CN(Cc1nc(C(=O)[O-])cs1)CC1CCC1 ZINC000328374608 364841368 /nfs/dbraw/zinc/84/13/68/364841368.db2.gz FNXKPLVPSOLLRK-UHFFFAOYSA-N -1 1 240.328 2.073 20 0 BEADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001642297483 1172341608 /nfs/dbraw/zinc/34/16/08/1172341608.db2.gz AXULIFZIBUYLIO-GXSJLCMTSA-N -1 1 237.274 2.306 20 0 BEADMM Cc1ccoc1CNC(=O)c1cc(F)ccc1[O-] ZINC000380977085 367327732 /nfs/dbraw/zinc/32/77/32/367327732.db2.gz XTFIAVUUYYSALG-UHFFFAOYSA-N -1 1 249.241 2.363 20 0 BEADMM CC/C=C\CNC(=O)c1c([O-])cccc1F ZINC000385053260 367780775 /nfs/dbraw/zinc/78/07/75/367780775.db2.gz SXRIHBDSFHXYTF-ARJAWSKDSA-N -1 1 223.247 2.227 20 0 BEADMM CC(C)N(C(=O)c1ncccc1[O-])C1CCC1 ZINC000153872792 326116934 /nfs/dbraw/zinc/11/69/34/326116934.db2.gz XNZZZWCWSWMDNL-UHFFFAOYSA-N -1 1 234.299 2.190 20 0 BEADMM Cc1cnc(SC[C@@H]2CCO[C@H]2C)[n-]c1=O ZINC000631017952 370906929 /nfs/dbraw/zinc/90/69/29/370906929.db2.gz UPRVRGMLLFMMQU-IUCAKERBSA-N -1 1 240.328 2.008 20 0 BEADMM CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024537 370933301 /nfs/dbraw/zinc/93/33/01/370933301.db2.gz VLFVZPBPQVANNV-UHFFFAOYSA-N -1 1 210.302 2.480 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1ccsn1 ZINC000622467246 370940016 /nfs/dbraw/zinc/94/00/16/370940016.db2.gz NJUIGCIDGVOHND-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM CC(C)[N@@H+](CC(=O)[O-])Cc1cncc(Cl)c1 ZINC000621773905 370519102 /nfs/dbraw/zinc/51/91/02/370519102.db2.gz GAKQRWYDZFAANC-UHFFFAOYSA-N -1 1 242.706 2.030 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])c1ccc[nH]1 ZINC001642769201 1172399335 /nfs/dbraw/zinc/39/93/35/1172399335.db2.gz OLNWHGJFJXUPJQ-UHFFFAOYSA-N -1 1 220.203 2.112 20 0 BEADMM Cc1cnc(SC[C@@H]2CC[C@H](C)O2)[n-]c1=O ZINC000568883418 326381311 /nfs/dbraw/zinc/38/13/11/326381311.db2.gz IMSCFBBKKAADGJ-IUCAKERBSA-N -1 1 240.328 2.150 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CSC1 ZINC000632029247 372731131 /nfs/dbraw/zinc/73/11/31/372731131.db2.gz GPCWVAKRAIRCRZ-UHFFFAOYSA-N -1 1 243.715 2.347 20 0 BEADMM O=C(NCC1CCC1)c1c(F)ccc([O-])c1F ZINC000289232877 182143029 /nfs/dbraw/zinc/14/30/29/182143029.db2.gz KIBOSMJIDVOTCW-UHFFFAOYSA-N -1 1 241.237 2.200 20 0 BEADMM O=C(NCCC1=CCCC1)c1ncccc1[O-] ZINC000158022135 182151304 /nfs/dbraw/zinc/15/13/04/182151304.db2.gz XXSWKOLAQDWNTC-UHFFFAOYSA-N -1 1 232.283 2.017 20 0 BEADMM O=C(NCCC1CC1)c1c([O-])cccc1F ZINC000126736660 182154892 /nfs/dbraw/zinc/15/48/92/182154892.db2.gz ACFPGLQWWHIPPN-UHFFFAOYSA-N -1 1 223.247 2.061 20 0 BEADMM CCC(C)(C)CCNC(=O)c1cncc([O-])c1 ZINC000633968135 373868495 /nfs/dbraw/zinc/86/84/95/373868495.db2.gz CZOBGBVSNWDCFQ-UHFFFAOYSA-N -1 1 236.315 2.343 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCS1 ZINC000269070451 182358340 /nfs/dbraw/zinc/35/83/40/182358340.db2.gz SWAUPHRLSHFAFR-SNVBAGLBSA-N -1 1 241.287 2.365 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1ccc[nH]1 ZINC000336436745 182358694 /nfs/dbraw/zinc/35/86/94/182358694.db2.gz BEOCWJVKTXIGBN-UHFFFAOYSA-N -1 1 220.203 2.112 20 0 BEADMM CCCCOc1ccccc1[N-]S(C)(=O)=O ZINC000005652244 168921780 /nfs/dbraw/zinc/92/17/80/168921780.db2.gz CUDVWJXLCQHEIL-UHFFFAOYSA-N -1 1 243.328 2.237 20 0 BEADMM CCCN(CCC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280664929 169140650 /nfs/dbraw/zinc/14/06/50/169140650.db2.gz AYHGAFRRTKUTRM-UHFFFAOYSA-N -1 1 249.310 2.224 20 0 BEADMM O=c1cc(C2CC2)nc(SCc2cc[nH]n2)[n-]1 ZINC000295271664 183256790 /nfs/dbraw/zinc/25/67/90/183256790.db2.gz HTWWKDKSPVUISJ-UHFFFAOYSA-N -1 1 248.311 2.075 20 0 BEADMM O=c1cc(C2CC2)nc(SCCF)[n-]1 ZINC000340703044 183257714 /nfs/dbraw/zinc/25/77/14/183257714.db2.gz HFDXWZRFIVQIPP-UHFFFAOYSA-N -1 1 214.265 2.121 20 0 BEADMM Clc1ccccc1SCc1nn[n-]n1 ZINC000078265909 383904901 /nfs/dbraw/zinc/90/49/01/383904901.db2.gz VYYVGCKOIPWHRD-UHFFFAOYSA-N -1 1 226.692 2.145 20 0 BEADMM [O-]c1cccc(CNC(CF)CF)c1Cl ZINC000449380972 384096957 /nfs/dbraw/zinc/09/69/57/384096957.db2.gz PTCXESBEXJVYQC-UHFFFAOYSA-N -1 1 235.661 2.443 20 0 BEADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cncc([O-])c1 ZINC000336470951 384351781 /nfs/dbraw/zinc/35/17/81/384351781.db2.gz PERGYQNKFPZSDV-LLVKDONJSA-N -1 1 246.310 2.216 20 0 BEADMM C[C@H](F)CCNC(=O)c1ccc([O-])c(F)c1 ZINC000647267766 384438619 /nfs/dbraw/zinc/43/86/19/384438619.db2.gz GFKQITZNSVNQKY-ZETCQYMHSA-N -1 1 229.226 2.009 20 0 BEADMM CC[C@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000149973356 384488147 /nfs/dbraw/zinc/48/81/47/384488147.db2.gz UPKQIBRLXDWCQG-QMMMGPOBSA-N -1 1 225.263 2.402 20 0 BEADMM CC1(C)CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000150005327 384489906 /nfs/dbraw/zinc/48/99/06/384489906.db2.gz YLIMUWRQBATUQY-LLVKDONJSA-N -1 1 248.326 2.486 20 0 BEADMM CN(Cc1ccoc1)C(=O)c1cc(F)ccc1[O-] ZINC000147672678 384526587 /nfs/dbraw/zinc/52/65/87/384526587.db2.gz VURYGMYQLWNMKN-UHFFFAOYSA-N -1 1 249.241 2.397 20 0 BEADMM CC[C@@H](C)CNC(=O)c1ccc([O-])cc1F ZINC000232385617 259654567 /nfs/dbraw/zinc/65/45/67/259654567.db2.gz KOQCIKRSBMETLC-MRVPVSSYSA-N -1 1 225.263 2.307 20 0 BEADMM CSCCCNC(=O)c1c([O-])cccc1F ZINC000125357449 384710410 /nfs/dbraw/zinc/71/04/10/384710410.db2.gz GMDHNYZNVXJISM-UHFFFAOYSA-N -1 1 243.303 2.014 20 0 BEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000126099627 384771441 /nfs/dbraw/zinc/77/14/41/384771441.db2.gz SZEWXCKKQLCNDS-LLVKDONJSA-N -1 1 246.310 2.192 20 0 BEADMM CCc1ccccc1-n1[n-]c(C)cc1=O ZINC000005688615 385007142 /nfs/dbraw/zinc/00/71/42/385007142.db2.gz HKFAMUCGCCUZMC-UHFFFAOYSA-N -1 1 202.257 2.362 20 0 BEADMM CC(C)N(CC(=O)[O-])Cc1c(F)cccc1F ZINC000086748035 385044453 /nfs/dbraw/zinc/04/44/53/385044453.db2.gz JSTPEDUNWWDMPY-UHFFFAOYSA-N -1 1 243.253 2.260 20 0 BEADMM CCC1(C)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000291019753 385138859 /nfs/dbraw/zinc/13/88/59/385138859.db2.gz FGGBRMQCTLCAGZ-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CN(C[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC000336557908 385090123 /nfs/dbraw/zinc/09/01/23/385090123.db2.gz PCOXLGJXOGZAJF-NSHDSACASA-N -1 1 246.310 2.216 20 0 BEADMM CCCC(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280918682 385617528 /nfs/dbraw/zinc/61/75/28/385617528.db2.gz JETAMVORIJZYRH-UHFFFAOYSA-N -1 1 249.310 2.270 20 0 BEADMM CC(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000185111631 385719747 /nfs/dbraw/zinc/71/97/47/385719747.db2.gz ULCXYUWZMNBYMC-UHFFFAOYSA-N -1 1 225.263 2.307 20 0 BEADMM Cc1n[n-]c(=NCc2ccc(C3CC3)cc2)n1C ZINC000414310411 386113060 /nfs/dbraw/zinc/11/30/60/386113060.db2.gz HMWGRGFAUMTADU-UHFFFAOYSA-N -1 1 242.326 2.035 20 0 BEADMM C[C@@H]([N-]C(=O)C(F)F)c1c(F)cccc1F ZINC000235209583 386145635 /nfs/dbraw/zinc/14/56/35/386145635.db2.gz KSBPEZCQYINOGM-RXMQYKEDSA-N -1 1 235.180 2.407 20 0 BEADMM Cc1nccc(N(C)CCCC(=O)[O-])c1Cl ZINC000416422872 386301816 /nfs/dbraw/zinc/30/18/16/386301816.db2.gz PJLJSTOMACGYSR-UHFFFAOYSA-N -1 1 242.706 2.344 20 0 BEADMM CC(C)c1nc(=N[C@@H]2CC[C@H]3C[C@H]3C2)o[n-]1 ZINC000645397120 386358068 /nfs/dbraw/zinc/35/80/68/386358068.db2.gz GYMKKECXRQYCCM-LPEHRKFASA-N -1 1 221.304 2.215 20 0 BEADMM CC(C)c1noc([N-][C@@H](CO)c2ccccc2)n1 ZINC000265867103 386380901 /nfs/dbraw/zinc/38/09/01/386380901.db2.gz YPQGFHNWWWRLFF-NSHDSACASA-N -1 1 247.298 2.339 20 0 BEADMM CC[C@H](CSc1nc(C)c(C)c(=O)[n-]1)OC ZINC000416902914 386410797 /nfs/dbraw/zinc/41/07/97/386410797.db2.gz DVZDWTXWOKNQLN-SECBINFHSA-N -1 1 242.344 2.316 20 0 BEADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000290857870 386480037 /nfs/dbraw/zinc/48/00/37/386480037.db2.gz JLEJITNJPWIPTO-LLVKDONJSA-N -1 1 246.310 2.049 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC12CC2 ZINC000643339591 386482094 /nfs/dbraw/zinc/48/20/94/386482094.db2.gz XRVSUAIGOHQJEA-ZETCQYMHSA-N -1 1 221.231 2.270 20 0 BEADMM C[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000335424167 386599428 /nfs/dbraw/zinc/59/94/28/386599428.db2.gz NGXPOHWDWFPPSY-ZCFIWIBFSA-N -1 1 245.731 2.233 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000335468342 386686082 /nfs/dbraw/zinc/68/60/82/386686082.db2.gz QPGPTFLOVCPNAX-MNOVXSKESA-N -1 1 246.310 2.110 20 0 BEADMM O=C(NC1(CF)CCC1)c1cc(F)ccc1[O-] ZINC000335542643 386724764 /nfs/dbraw/zinc/72/47/64/386724764.db2.gz PXAPSJYQDPDWIM-UHFFFAOYSA-N -1 1 241.237 2.153 20 0 BEADMM O=C([N-]c1nncs1)c1ccc(Cl)o1 ZINC000021215898 386813021 /nfs/dbraw/zinc/81/30/21/386813021.db2.gz DCXHMTSSKIQVMA-UHFFFAOYSA-N -1 1 229.648 2.037 20 0 BEADMM Cc1nc(=Nc2cc3cn[nH]c3cc2C)s[n-]1 ZINC000357746900 386840189 /nfs/dbraw/zinc/84/01/89/386840189.db2.gz HOWIAPWYCDRMKZ-UHFFFAOYSA-N -1 1 245.311 2.197 20 0 BEADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ncccc1[O-] ZINC000335742252 386858451 /nfs/dbraw/zinc/85/84/51/386858451.db2.gz JSWMTTUKTXTRME-SNVBAGLBSA-N -1 1 246.310 2.192 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)C1=C(C)OCCC1 ZINC000293741711 386871698 /nfs/dbraw/zinc/87/16/98/386871698.db2.gz OGHCOFRQHFWBTE-SECBINFHSA-N -1 1 227.304 2.165 20 0 BEADMM CCC1(CNC(=O)c2ncc(C)cc2[O-])CC1 ZINC000332106932 386961231 /nfs/dbraw/zinc/96/12/31/386961231.db2.gz DAUZTSSAXZURSD-UHFFFAOYSA-N -1 1 234.299 2.016 20 0 BEADMM O=C(NC[C@H]1CC12CC2)c1c([O-])cccc1F ZINC000334909902 386984377 /nfs/dbraw/zinc/98/43/77/386984377.db2.gz NAPNLHFTJTVQMG-MRVPVSSYSA-N -1 1 235.258 2.061 20 0 BEADMM Cn1c(=O)[nH]nc1SC[C@H]1CCC(F)(F)C1 ZINC000334967123 387048717 /nfs/dbraw/zinc/04/87/17/387048717.db2.gz JKZFGYOXZRVIOV-LURJTMIESA-N -1 1 249.286 2.048 20 0 BEADMM COc1cc(C(=O)NC(C)C)cc(Cl)c1[O-] ZINC000336283049 387118037 /nfs/dbraw/zinc/11/80/37/387118037.db2.gz UBTDROPLLHZEEE-UHFFFAOYSA-N -1 1 243.690 2.192 20 0 BEADMM CC(C)c1nc(=NCCC2(C)CC2)o[n-]1 ZINC000336766973 387128308 /nfs/dbraw/zinc/12/83/08/387128308.db2.gz SRDFGNUJNHMUSO-UHFFFAOYSA-N -1 1 209.293 2.217 20 0 BEADMM CC1(CNC(=O)c2cncc([O-])c2)CCCCC1 ZINC000229632714 387190673 /nfs/dbraw/zinc/19/06/73/387190673.db2.gz FYOCAHXZNBKOHL-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])C(C)(F)F ZINC000389525392 387224443 /nfs/dbraw/zinc/22/44/43/387224443.db2.gz LGIJKBHWZPIOTB-LURJTMIESA-N -1 1 247.216 2.305 20 0 BEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])C(C)(F)F ZINC000389525393 387225540 /nfs/dbraw/zinc/22/55/40/387225540.db2.gz LGIJKBHWZPIOTB-ZCFIWIBFSA-N -1 1 247.216 2.305 20 0 BEADMM CCN(CC1CCC1)C(=O)c1ncccc1[O-] ZINC000230319100 387261015 /nfs/dbraw/zinc/26/10/15/387261015.db2.gz CWJMNYZQLQZIPM-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM CN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000037760513 387564738 /nfs/dbraw/zinc/56/47/38/387564738.db2.gz LNKCMNWLWFRXSH-UHFFFAOYSA-N -1 1 242.278 2.059 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)C(F)F ZINC000452238788 387777170 /nfs/dbraw/zinc/77/71/70/387777170.db2.gz AYHDDRIBSKNGEF-VIFPVBQESA-N -1 1 247.216 2.305 20 0 BEADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccn1 ZINC000080001065 387920100 /nfs/dbraw/zinc/92/01/00/387920100.db2.gz SWHXGKHTRWLBNO-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM O=C([O-])[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000086726922 388107520 /nfs/dbraw/zinc/10/75/20/388107520.db2.gz UVIYMALDECDEDS-NSHDSACASA-N -1 1 241.237 2.014 20 0 BEADMM CC(C)OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456792293 388222177 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/nfs/dbraw/zinc/41/55/86/388415586.db2.gz OAKUIIDOQBLKNU-UHFFFAOYSA-N -1 1 237.690 2.059 20 0 BEADMM Cc1cnc(SCCC2CC2)[n-]c1=O ZINC000573103868 388419559 /nfs/dbraw/zinc/41/95/59/388419559.db2.gz FNWPNFPKEHADFL-UHFFFAOYSA-N -1 1 210.302 2.383 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC1(F)F ZINC000530006868 388603854 /nfs/dbraw/zinc/60/38/54/388603854.db2.gz VYZRCVMGTITAOU-YFKPBYRVSA-N -1 1 231.173 2.125 20 0 BEADMM CSC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000125420781 388671725 /nfs/dbraw/zinc/67/17/25/388671725.db2.gz VAKNTXLHJSWCRX-ZETCQYMHSA-N -1 1 243.303 2.013 20 0 BEADMM CSC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000125420988 388671816 /nfs/dbraw/zinc/67/18/16/388671816.db2.gz VAKNTXLHJSWCRX-SSDOTTSWSA-N -1 1 243.303 2.013 20 0 BEADMM C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128659681 388780230 /nfs/dbraw/zinc/78/02/30/388780230.db2.gz CBOANPXUTFMCRF-KWQFWETISA-N -1 1 237.274 2.450 20 0 BEADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ncccc1[O-] ZINC000335742251 133888507 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242.344 2.180 20 0 BEADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cncc([O-])c1 ZINC000325199024 326420518 /nfs/dbraw/zinc/42/05/18/326420518.db2.gz IVBUGRCGFFRDRC-CYBMUJFWSA-N -1 1 246.310 2.096 20 0 BEADMM O=C(N[C@H](C1CC1)C1CCC1)c1ncccc1[O-] ZINC000325184451 326420611 /nfs/dbraw/zinc/42/06/11/326420611.db2.gz BCTYNANGCKEQGY-LBPRGKRZSA-N -1 1 246.310 2.096 20 0 BEADMM CC(C)C1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000677127908 487977446 /nfs/dbraw/zinc/97/74/46/487977446.db2.gz TTWWUEAPSUURQC-UHFFFAOYSA-N -1 1 237.274 2.259 20 0 BEADMM Cc1cc(CN2CC=C(C)CC2)oc1C(=O)[O-] ZINC000382531179 487545062 /nfs/dbraw/zinc/54/50/62/487545062.db2.gz HUCYKHZZBKZHRJ-UHFFFAOYSA-N -1 1 235.283 2.438 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1csc(C)c1 ZINC000379786301 488152440 /nfs/dbraw/zinc/15/24/40/488152440.db2.gz HYAMQAZSMCOPRR-SNVBAGLBSA-N -1 1 227.329 2.352 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCOC2)n1 ZINC000683454378 488164996 /nfs/dbraw/zinc/16/49/96/488164996.db2.gz KCEMBYHRLHAQJN-SECBINFHSA-N -1 1 240.328 2.016 20 0 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CCC[C@@H](C)N(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858349353 588947736 /nfs/dbraw/zinc/94/77/36/588947736.db2.gz XGPZRISSFNALLA-SSDOTTSWSA-N -1 1 229.711 2.460 20 0 BEADMM C[C@H](CNc1cc(Cl)[n-]c(=O)n1)C1CC1 ZINC000858362235 588948630 /nfs/dbraw/zinc/94/86/30/588948630.db2.gz ATVGXVVFDIBOGI-ZCFIWIBFSA-N -1 1 227.695 2.294 20 0 BEADMM CC[C@@H](C)CN(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858406199 588951572 /nfs/dbraw/zinc/95/15/72/588951572.db2.gz ZGHFCIYHJDZEHY-SSDOTTSWSA-N -1 1 229.711 2.318 20 0 BEADMM CC1(C)C[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858408437 588951890 /nfs/dbraw/zinc/95/18/90/588951890.db2.gz UBGWBNNFDKBXSF-ZCFIWIBFSA-N -1 1 227.695 2.294 20 0 BEADMM CC(C)[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858442290 588955426 /nfs/dbraw/zinc/95/54/26/588955426.db2.gz ROJMQFQWOGYIRH-QMMMGPOBSA-N -1 1 241.722 2.318 20 0 BEADMM O=c1nc(N2CC[C@@H](C3CC3)C2)cc(Cl)[n-]1 ZINC000858462980 588957413 /nfs/dbraw/zinc/95/74/13/588957413.db2.gz ZOIQBNZCGQHPPF-MRVPVSSYSA-N -1 1 239.706 2.072 20 0 BEADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C[C@H]1F ZINC000858469926 588957931 /nfs/dbraw/zinc/95/79/31/588957931.db2.gz TUXSKJPOZOVOCN-RNFRBKRXSA-N -1 1 245.685 2.020 20 0 BEADMM C[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C[C@H]1F ZINC000858469843 588958012 /nfs/dbraw/zinc/95/80/12/588958012.db2.gz TUXSKJPOZOVOCN-NKWVEPMBSA-N -1 1 245.685 2.020 20 0 BEADMM CS[C@@H](C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000898574058 584142623 /nfs/dbraw/zinc/14/26/23/584142623.db2.gz FRWYOSCVFUEFNF-QMMMGPOBSA-N -1 1 243.303 2.377 20 0 BEADMM CC[C@@H]1[C@H](C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858487717 588960161 /nfs/dbraw/zinc/96/01/61/588960161.db2.gz GYOWNUAJBJAJKH-HTQZYQBOSA-N -1 1 241.722 2.460 20 0 BEADMM O=c1nc(N[C@@H]2CCCC2(F)F)cc(Cl)[n-]1 ZINC000858529068 588963354 /nfs/dbraw/zinc/96/33/54/588963354.db2.gz MWOJMQDFLXWIFT-RXMQYKEDSA-N -1 1 249.648 2.435 20 0 BEADMM CC1(C)CC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858544911 588964176 /nfs/dbraw/zinc/96/41/76/588964176.db2.gz CXPPKTCWYKEFFN-LURJTMIESA-N -1 1 227.695 2.436 20 0 BEADMM O=c1cc(CC2CC2)[n-]n1-c1ccnc(F)c1 ZINC000899351969 584199750 /nfs/dbraw/zinc/19/97/50/584199750.db2.gz VULCXRNJSMLDPC-UHFFFAOYSA-N -1 1 233.246 2.114 20 0 BEADMM CC(F)(F)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858556030 588965147 /nfs/dbraw/zinc/96/51/47/588965147.db2.gz FNVSYQRXZLKRDP-UHFFFAOYSA-N -1 1 237.637 2.293 20 0 BEADMM CCC1(CC)CN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858554541 588965290 /nfs/dbraw/zinc/96/52/90/588965290.db2.gz PGJLEFVYOALSOV-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM Cc1[n-]n(-c2ccc(C)cn2)c(=O)c1C(C)C ZINC000899348917 584202152 /nfs/dbraw/zinc/20/21/52/584202152.db2.gz PGOTWPAKGIJMGW-GFCCVEGCSA-N -1 1 231.299 2.385 20 0 BEADMM O=c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(Cl)[n-]1 ZINC000858602090 588970817 /nfs/dbraw/zinc/97/08/17/588970817.db2.gz PZAVRCDQLQAWND-BIIVOSGPSA-N -1 1 239.706 2.436 20 0 BEADMM Cc1scc(CN(C)[C@@H](C)C(=O)[O-])c1C ZINC000901981040 584512111 /nfs/dbraw/zinc/51/21/11/584512111.db2.gz VLDZPBVXGSNWTH-QMMMGPOBSA-N -1 1 227.329 2.270 20 0 BEADMM Cc1ccoc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000902015436 584513902 /nfs/dbraw/zinc/51/39/02/584513902.db2.gz IUSXRLKWJMGFDU-MWLCHTKSSA-N -1 1 237.299 2.273 20 0 BEADMM Cc1ccoc1CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000902015436 584513903 /nfs/dbraw/zinc/51/39/03/584513903.db2.gz IUSXRLKWJMGFDU-MWLCHTKSSA-N -1 1 237.299 2.273 20 0 BEADMM Cc1ccc(F)c(CN(C)[C@H](C)C(=O)[O-])c1F ZINC000903401343 584760460 /nfs/dbraw/zinc/76/04/60/584760460.db2.gz JUEDIDKHZQFRSU-MRVPVSSYSA-N -1 1 243.253 2.178 20 0 BEADMM Cc1ccc(F)c(CN(C)[C@@H](C)C(=O)[O-])c1F ZINC000903401344 584760628 /nfs/dbraw/zinc/76/06/28/584760628.db2.gz JUEDIDKHZQFRSU-QMMMGPOBSA-N -1 1 243.253 2.178 20 0 BEADMM CC[C@H](C)[C@@H](C(=O)[O-])N(C)Cc1ccco1 ZINC000903596463 584785993 /nfs/dbraw/zinc/78/59/93/584785993.db2.gz UXFPXUZHEOMTLA-ONGXEEELSA-N -1 1 225.288 2.211 20 0 BEADMM Cc1cc(C)nc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000903703259 584790466 /nfs/dbraw/zinc/79/04/66/584790466.db2.gz WVDYPYBPMVCWMU-DGCLKSJQSA-N -1 1 248.326 2.136 20 0 BEADMM CC1=CCC[C@@H](C)[C@@H]1CNCC(F)(F)C(=O)[O-] ZINC000904031633 584837804 /nfs/dbraw/zinc/83/78/04/584837804.db2.gz AXRVJCCSGFYTCB-NXEZZACHSA-N -1 1 247.285 2.288 20 0 BEADMM C[C@H]1CCC[C@H](C)C1[N-]C(=O)C(F)(F)F ZINC000736112290 584989818 /nfs/dbraw/zinc/98/98/18/584989818.db2.gz VRPVOXQPRVNBSC-BQBZGAKWSA-N -1 1 223.238 2.490 20 0 BEADMM C[C@@H](SCc1nn[n-]n1)c1cccs1 ZINC000736189948 584991159 /nfs/dbraw/zinc/99/11/59/584991159.db2.gz DGPNVEMXPIPDSN-ZCFIWIBFSA-N -1 1 226.330 2.256 20 0 BEADMM C[C@]1(c2ccccc2)C[C@H]1[N-]C(=O)C(F)(F)F ZINC000741730978 585116644 /nfs/dbraw/zinc/11/66/44/585116644.db2.gz MGHVXWZBLYIYFM-MWLCHTKSSA-N -1 1 243.228 2.395 20 0 BEADMM O=C(Nc1c([O-])cccc1F)C1=COCCC1 ZINC000743415577 585136320 /nfs/dbraw/zinc/13/63/20/585136320.db2.gz GTUXNXYSSYTGPR-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM C[C@H](CC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759343022 585369447 /nfs/dbraw/zinc/36/94/47/585369447.db2.gz NLCKYGMNXPFQQX-SECBINFHSA-N -1 1 243.253 2.493 20 0 BEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc[nH]1 ZINC000760962092 585402648 /nfs/dbraw/zinc/40/26/48/585402648.db2.gz SICGTTUTTGIWSP-MRVPVSSYSA-N -1 1 248.257 2.350 20 0 BEADMM CC(C)=CC(=O)Nc1c([O-])cccc1F ZINC000762804258 585437620 /nfs/dbraw/zinc/43/76/20/585437620.db2.gz GIUHXXICCBKFRU-UHFFFAOYSA-N -1 1 209.220 2.436 20 0 BEADMM CSCCCCC(=O)[N-]OCC(F)(F)F ZINC000766766758 585508425 /nfs/dbraw/zinc/50/84/25/585508425.db2.gz DHPJRJKMOROHJY-UHFFFAOYSA-N -1 1 245.266 2.130 20 0 BEADMM CCOCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000767088796 585513637 /nfs/dbraw/zinc/51/36/37/585513637.db2.gz QXIQLMDFEICDDK-UHFFFAOYSA-N -1 1 226.301 2.146 20 0 BEADMM O=C(Nc1c([O-])cccc1F)C1=CCCCO1 ZINC000768086008 585531528 /nfs/dbraw/zinc/53/15/28/585531528.db2.gz VNECBCGHMWYTSC-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM CC1(C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000768175484 585533561 /nfs/dbraw/zinc/53/35/61/585533561.db2.gz MTNJWELFUTYNEY-UHFFFAOYSA-N -1 1 223.247 2.156 20 0 BEADMM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCC(F)(F)F ZINC000769456925 585557448 /nfs/dbraw/zinc/55/74/48/585557448.db2.gz GQVPAQPJHOPOSL-SFYZADRCSA-N -1 1 239.237 2.423 20 0 BEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc[nH]1 ZINC000772208690 585609954 /nfs/dbraw/zinc/60/99/54/585609954.db2.gz JMCUOTXZUANZNB-MRVPVSSYSA-N -1 1 248.257 2.350 20 0 BEADMM Cc1conc1[N-]C(=O)c1scnc1Cl ZINC000772561426 585618244 /nfs/dbraw/zinc/61/82/44/585618244.db2.gz ANDVWUMVASMWJP-UHFFFAOYSA-N -1 1 243.675 2.345 20 0 BEADMM CCC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773566012 585639747 /nfs/dbraw/zinc/63/97/47/585639747.db2.gz BQQWLJJBVLGGHU-ZETCQYMHSA-N -1 1 240.230 2.056 20 0 BEADMM CC(C)COC(=O)c1ccc([O-])cc1F ZINC000773567515 585640404 /nfs/dbraw/zinc/64/04/04/585640404.db2.gz AZVHDLHYWNOYSC-UHFFFAOYSA-N -1 1 212.220 2.344 20 0 BEADMM CCC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773566010 585640494 /nfs/dbraw/zinc/64/04/94/585640494.db2.gz BQQWLJJBVLGGHU-SSDOTTSWSA-N -1 1 240.230 2.056 20 0 BEADMM O=C(OCC1CCC1)c1ccc([O-])cc1F ZINC000773572687 585640647 /nfs/dbraw/zinc/64/06/47/585640647.db2.gz LAZAAXIKWYPGPT-UHFFFAOYSA-N -1 1 224.231 2.488 20 0 BEADMM CCSCCOC(=O)c1ccc([O-])cc1F ZINC000773576516 585640790 /nfs/dbraw/zinc/64/07/90/585640790.db2.gz AMLWPHADTJNTQW-UHFFFAOYSA-N -1 1 244.287 2.441 20 0 BEADMM CCO[N-]C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000775652259 585682292 /nfs/dbraw/zinc/68/22/92/585682292.db2.gz WMALOQYHURODJO-SNVBAGLBSA-N -1 1 239.702 2.438 20 0 BEADMM Cc1cccc([C@H](C)OC(=O)c2cn[n-]n2)c1 ZINC000805605216 585732022 /nfs/dbraw/zinc/73/20/22/585732022.db2.gz WRGLERBFHYEXIJ-VIFPVBQESA-N -1 1 231.255 2.031 20 0 BEADMM CCCC[C@@H](CCC)OC(=O)c1cn[n-]n1 ZINC000805609085 585735938 /nfs/dbraw/zinc/73/59/38/585735938.db2.gz MUDSTUOLDGKTLH-SECBINFHSA-N -1 1 225.292 2.320 20 0 BEADMM CC1=C(C(=O)[N-]OC2CCCCC2)CCCO1 ZINC000779321286 585750855 /nfs/dbraw/zinc/75/08/55/585750855.db2.gz WYHSVHKLMWCLNG-UHFFFAOYSA-N -1 1 239.315 2.451 20 0 BEADMM CC(C)[C@H](F)C(=O)Nc1ccc(F)cc1[O-] ZINC000784455973 585860457 /nfs/dbraw/zinc/86/04/57/585860457.db2.gz OTOVXJCZWIRAHI-JTQLQIEISA-N -1 1 229.226 2.464 20 0 BEADMM COCC[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000784515015 585861930 /nfs/dbraw/zinc/86/19/30/585861930.db2.gz BRSHUYMEYMHYAJ-MRVPVSSYSA-N -1 1 242.246 2.113 20 0 BEADMM COC(=O)c1ccc(C(=O)OCCC(C)C)[n-]1 ZINC000796347660 586101355 /nfs/dbraw/zinc/10/13/55/586101355.db2.gz URQOEKLVNMRYHE-UHFFFAOYSA-N -1 1 239.271 2.004 20 0 BEADMM CC[C@H](C)COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796345136 586101445 /nfs/dbraw/zinc/10/14/45/586101445.db2.gz MTDKODDWUUUJFE-QMMMGPOBSA-N -1 1 239.271 2.004 20 0 BEADMM C[C@H]1C[C@H]1COC(=O)c1c([O-])cc(F)cc1F ZINC000859525088 589042692 /nfs/dbraw/zinc/04/26/92/589042692.db2.gz BDSKWJIQIJPPFN-BQBZGAKWSA-N -1 1 242.221 2.483 20 0 BEADMM CCC1=C(C(=O)[N-]OC/C=C/Cl)CCCO1 ZINC000812400553 586575412 /nfs/dbraw/zinc/57/54/12/586575412.db2.gz OMTWYXYICBXAIA-GQCTYLIASA-N -1 1 245.706 2.261 20 0 BEADMM COc1cccc([C@H](C)C(=O)[N-]OC2CCC2)c1 ZINC000812789913 586585023 /nfs/dbraw/zinc/58/50/23/586585023.db2.gz PKPYADIBEMDBFV-JTQLQIEISA-N -1 1 249.310 2.399 20 0 BEADMM Cc1ccc(CC(=O)[N-]OC2CCC2)s1 ZINC000812791426 586585106 /nfs/dbraw/zinc/58/51/06/586585106.db2.gz OOMLRHWRIGVEBZ-UHFFFAOYSA-N -1 1 225.313 2.199 20 0 BEADMM CCC1=C(C(=O)[N-]OC2CCC2)CCCO1 ZINC000812791344 586585221 /nfs/dbraw/zinc/58/52/21/586585221.db2.gz SNKNVNNVRLQHQB-UHFFFAOYSA-N -1 1 225.288 2.061 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)[C@H]1CCCC[C@H]1OC ZINC000816979311 586777255 /nfs/dbraw/zinc/77/72/55/586777255.db2.gz MCYBAQUQZMPGES-SDDRHHMPSA-N -1 1 243.347 2.286 20 0 BEADMM CC[C@@H](C)[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820861680 587077891 /nfs/dbraw/zinc/07/78/91/587077891.db2.gz NCZSJPVARZDWAS-BDAKNGLRSA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@@H](C)[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820861680 587077892 /nfs/dbraw/zinc/07/78/92/587077892.db2.gz NCZSJPVARZDWAS-BDAKNGLRSA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@@H](C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820861688 587078176 /nfs/dbraw/zinc/07/81/76/587078176.db2.gz NCZSJPVARZDWAS-RKDXNWHRSA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@@H](C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820861688 587078178 /nfs/dbraw/zinc/07/81/78/587078178.db2.gz NCZSJPVARZDWAS-RKDXNWHRSA-N -1 1 246.318 2.108 20 0 BEADMM CC1(C(=O)[N-]OCC2CCC2)CC(F)(F)C1 ZINC000824736578 587284898 /nfs/dbraw/zinc/28/48/98/587284898.db2.gz VDZLVKHDFHMIJI-UHFFFAOYSA-N -1 1 233.258 2.270 20 0 BEADMM C/C=C\CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825028815 587299509 /nfs/dbraw/zinc/29/95/09/587299509.db2.gz KOUILGXPQBRYLE-IHWYPQMZSA-N -1 1 247.327 2.071 20 0 BEADMM C/C=C\CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825028815 587299510 /nfs/dbraw/zinc/29/95/10/587299510.db2.gz KOUILGXPQBRYLE-IHWYPQMZSA-N -1 1 247.327 2.071 20 0 BEADMM CCCC[C@H](CC)Cn1ccnc1-c1nnn[n-]1 ZINC000825261093 587311615 /nfs/dbraw/zinc/31/16/15/587311615.db2.gz TWVOMRMKVOZUMI-JTQLQIEISA-N -1 1 248.334 2.280 20 0 BEADMM CCCC[C@H](CC)Cn1ccnc1-c1nn[n-]n1 ZINC000825261093 587311617 /nfs/dbraw/zinc/31/16/17/587311617.db2.gz TWVOMRMKVOZUMI-JTQLQIEISA-N -1 1 248.334 2.280 20 0 BEADMM Cc1cccc(NCC2CCN(C(=O)[O-])CC2)n1 ZINC000830522181 587555714 /nfs/dbraw/zinc/55/57/14/587555714.db2.gz OZIXSROVZIOXAP-UHFFFAOYSA-N -1 1 249.314 2.192 20 0 BEADMM C/C(=C\CN1CCc2cccc(F)c2C1)C(=O)[O-] ZINC000833382712 587712112 /nfs/dbraw/zinc/71/21/12/587712112.db2.gz LDZPUZWKBXZRQC-BJMVGYQFSA-N -1 1 249.285 2.215 20 0 BEADMM C/C(=C\CN(Cc1cccnc1)C1CC1)C(=O)[O-] ZINC000833383596 587712308 /nfs/dbraw/zinc/71/23/08/587712308.db2.gz ONRFWQCNWKXQIG-IZZDOVSWSA-N -1 1 246.310 2.077 20 0 BEADMM C/C(=C\CNC1(c2ccccc2F)CC1)C(=O)[O-] ZINC000833386934 587712891 /nfs/dbraw/zinc/71/28/91/587712891.db2.gz ZRDGCUPIUBEZPW-UXBLZVDNSA-N -1 1 249.285 2.435 20 0 BEADMM C[C@@H](c1ccco1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550774 587719617 /nfs/dbraw/zinc/71/96/17/587719617.db2.gz XIMBNKHUUWCZFG-VIFPVBQESA-N -1 1 248.282 2.499 20 0 BEADMM O=C(CCCF)Nc1nc(Cl)ccc1[O-] ZINC000834297846 587750914 /nfs/dbraw/zinc/75/09/14/587750914.db2.gz GDSZMZARHXDGKW-UHFFFAOYSA-N -1 1 232.642 2.129 20 0 BEADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824926 587767967 /nfs/dbraw/zinc/76/79/67/587767967.db2.gz CBNYDBAPRUSJIE-VXNVDRBHSA-N -1 1 239.702 2.318 20 0 BEADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000834833521 587768148 /nfs/dbraw/zinc/76/81/48/587768148.db2.gz BOLWZPMUDCGTFC-UHFFFAOYSA-N -1 1 239.702 2.462 20 0 BEADMM CO[C@@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000837087145 587852586 /nfs/dbraw/zinc/85/25/86/587852586.db2.gz DXHJSIDGVRXYDX-LURJTMIESA-N -1 1 245.225 2.034 20 0 BEADMM CCO[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000837143946 587856131 /nfs/dbraw/zinc/85/61/31/587856131.db2.gz IMMWYQVSOJTQSS-HTQZYQBOSA-N -1 1 239.237 2.013 20 0 BEADMM O=C([N-][C@@H]1CCCC[C@H]1F)C(F)(F)C(F)F ZINC000840520574 587909300 /nfs/dbraw/zinc/90/93/00/587909300.db2.gz XMSUOMXGDWBKQG-PHDIDXHHSA-N -1 1 245.191 2.284 20 0 BEADMM CC(C)(C)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000844044133 588157878 /nfs/dbraw/zinc/15/78/78/588157878.db2.gz VUJKFWXHNMPMOI-KNVOCYPGSA-N -1 1 239.237 2.011 20 0 BEADMM CC(C)c1csc(SCc2nn[n-]n2)n1 ZINC000845330764 588226739 /nfs/dbraw/zinc/22/67/39/588226739.db2.gz SRDYUQACRFOUGW-UHFFFAOYSA-N -1 1 241.345 2.072 20 0 BEADMM CC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1CCCCO1 ZINC000848350588 588373040 /nfs/dbraw/zinc/37/30/40/588373040.db2.gz RCRRMDUMSCIMLM-YUMQZZPRSA-N -1 1 239.237 2.013 20 0 BEADMM Cc1cnc(SCOC2CCCC2)[n-]c1=O ZINC000849903320 588509276 /nfs/dbraw/zinc/50/92/76/588509276.db2.gz OUBXDDFHWJDQNH-UHFFFAOYSA-N -1 1 240.328 2.499 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1C(F)F ZINC000868603789 589567079 /nfs/dbraw/zinc/56/70/79/589567079.db2.gz LRUWMSZOABDRSA-MRVPVSSYSA-N -1 1 245.200 2.011 20 0 BEADMM CCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000871626240 589776714 /nfs/dbraw/zinc/77/67/14/589776714.db2.gz BUSPUJWAFUUXSG-UHFFFAOYSA-N -1 1 242.706 2.255 20 0 BEADMM Cc1conc1CSc1ncc(C)c(=O)[n-]1 ZINC000871674317 589788274 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/nfs/dbraw/zinc/78/20/74/962782074.db2.gz DPNLYSUAZTYAPN-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM CC(C)[C@H](C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155263741 963036764 /nfs/dbraw/zinc/03/67/64/963036764.db2.gz OPSXBVARCGMQLR-QMMMGPOBSA-N -1 1 247.298 2.043 20 0 BEADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1ccsc1 ZINC001155719016 963163198 /nfs/dbraw/zinc/16/31/98/963163198.db2.gz BZBJWPVOUOTFFZ-QMMMGPOBSA-N -1 1 248.307 2.340 20 0 BEADMM C[C@@H](NCc1oncc1C(=O)[O-])c1ccccc1 ZINC000310738561 963429646 /nfs/dbraw/zinc/42/96/46/963429646.db2.gz QBSVYOXIYUGGTQ-SECBINFHSA-N -1 1 246.266 2.224 20 0 BEADMM C[C@@H](Oc1cnc[n-]c1=O)C1CCCC1 ZINC001227052023 963445869 /nfs/dbraw/zinc/44/58/69/963445869.db2.gz UEBPGKIVSGOYOD-MRVPVSSYSA-N -1 1 208.261 2.140 20 0 BEADMM CC/C=C\CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314691518 963792624 /nfs/dbraw/zinc/79/26/24/963792624.db2.gz SWEHZZIRYVPEDA-PULIVWKDSA-N -1 1 240.328 2.458 20 0 BEADMM CC(C)C1(NC(=O)c2cccc([O-])c2F)CC1 ZINC001159070938 963988231 /nfs/dbraw/zinc/98/82/31/963988231.db2.gz OWRFDNXAUQCLQD-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM [O-]c1c(F)cc(CN2C[C@@H](F)[C@@H](F)C2)cc1F ZINC000714557954 964098148 /nfs/dbraw/zinc/09/81/48/964098148.db2.gz JRHSXBLSHMSLQF-AOOOYVTPSA-N -1 1 249.207 2.162 20 0 BEADMM CCCC(CCC)OCC[P@](=O)([O-])O ZINC001224603906 964800110 /nfs/dbraw/zinc/80/01/10/964800110.db2.gz CMRPGYYHLSQHPB-UHFFFAOYSA-N -1 1 224.237 2.150 20 0 BEADMM CS/C=C/C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162292532 964912948 /nfs/dbraw/zinc/91/29/48/964912948.db2.gz URBXAXRJJZECOE-NSCUHMNNSA-N -1 1 245.250 2.486 20 0 BEADMM CCCONC(=O)c1ncc2ccccc2c1[O-] ZINC001163242307 965318229 /nfs/dbraw/zinc/31/82/29/965318229.db2.gz RESJCARLIWRIRQ-UHFFFAOYSA-N -1 1 246.266 2.012 20 0 BEADMM [O-]c1c(F)ccc(CN2CC[C@@H](F)C2)c1F ZINC001232931932 965433756 /nfs/dbraw/zinc/43/37/56/965433756.db2.gz UCIODMFTIOHBTA-MRVPVSSYSA-N -1 1 231.217 2.214 20 0 BEADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)C[C@@H]1F ZINC001204151139 966904364 /nfs/dbraw/zinc/90/43/64/966904364.db2.gz QYXDJMUPPJSDRD-SKDRFNHKSA-N -1 1 237.274 2.175 20 0 BEADMM Nc1ccc([N-]c2nnco2)c(Cl)c1 ZINC001249728623 967035775 /nfs/dbraw/zinc/03/57/75/967035775.db2.gz AQSIEIROTSYOBS-UHFFFAOYSA-N -1 1 210.624 2.049 20 0 BEADMM CCOCCc1cc([O-])c(F)c(F)c1F ZINC001249945358 967188189 /nfs/dbraw/zinc/18/81/89/967188189.db2.gz QRWTYEISGDDOGE-UHFFFAOYSA-N -1 1 220.190 2.389 20 0 BEADMM Cn1cc(Nc2cc(Cl)c([O-])cc2F)nn1 ZINC001250020534 967275993 /nfs/dbraw/zinc/27/59/93/967275993.db2.gz WKVDKGAOZBUYOR-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM [O-]c1c(F)cc(C[C@H]2CCCO2)cc1F ZINC001250107000 967386287 /nfs/dbraw/zinc/38/62/87/967386287.db2.gz YRVGVEAGYSTQEC-MRVPVSSYSA-N -1 1 214.211 2.392 20 0 BEADMM Cc1c2ccccc2oc1[C@@H](C)NCC(=O)[O-] ZINC000037250847 967508522 /nfs/dbraw/zinc/50/85/22/967508522.db2.gz VIGLDBWGYBTZAG-SECBINFHSA-N -1 1 233.267 2.476 20 0 BEADMM Cc1ccc(-c2nccc(C)n2)c([O-])c1 ZINC000715771376 967598121 /nfs/dbraw/zinc/59/81/21/967598121.db2.gz LZODBTJJUNZVKB-UHFFFAOYSA-N -1 1 200.241 2.466 20 0 BEADMM CCCc1cc([N-]c2cnn3cccnc23)on1 ZINC001205946606 967896258 /nfs/dbraw/zinc/89/62/58/967896258.db2.gz ZIDKDYJXHIPUJQ-UHFFFAOYSA-N -1 1 243.270 2.413 20 0 BEADMM CCOC(=O)c1nc2c(cccc2OCC)[n-]1 ZINC001250550651 968056259 /nfs/dbraw/zinc/05/62/59/968056259.db2.gz YUGSUDPOFSZLTJ-UHFFFAOYSA-N -1 1 234.255 2.138 20 0 BEADMM NC(=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001250610064 968157847 /nfs/dbraw/zinc/15/78/47/968157847.db2.gz SCEZXKMDDRGREN-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM C[C@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001251967503 968407889 /nfs/dbraw/zinc/40/78/89/968407889.db2.gz KTUWBDUTIDIWAW-YFKPBYRVSA-N -1 1 236.098 2.492 20 0 BEADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc([O-])cc1F ZINC000822104250 968509591 /nfs/dbraw/zinc/50/95/91/968509591.db2.gz QYWCIIZFFGJUTL-OTYXRUKQSA-N -1 1 249.285 2.451 20 0 BEADMM COc1cc(C)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240783842 968684088 /nfs/dbraw/zinc/68/40/88/968684088.db2.gz YPLFLNBHNSTVBB-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM COc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290680 968966281 /nfs/dbraw/zinc/96/62/81/968966281.db2.gz ALVMZTGJZNFWQJ-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM CCS(=O)(=O)[N-]c1cccc2ncsc21 ZINC001253348802 969137577 /nfs/dbraw/zinc/13/75/77/969137577.db2.gz NWCSFQDQRYWUBW-UHFFFAOYSA-N -1 1 242.325 2.058 20 0 BEADMM C=Cc1ccccc1[N-]c1nonc1N ZINC001209944057 969705346 /nfs/dbraw/zinc/70/53/46/969705346.db2.gz CLGWMPJWCDZDCN-UHFFFAOYSA-N -1 1 202.217 2.038 20 0 BEADMM CC(C)(C)c1nc([N-]c2cncc(N)c2)no1 ZINC001210436003 969888134 /nfs/dbraw/zinc/88/81/34/969888134.db2.gz TVDJYKSJUVITHE-UHFFFAOYSA-N -1 1 233.275 2.088 20 0 BEADMM Nc1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001210442652 969890032 /nfs/dbraw/zinc/89/00/32/969890032.db2.gz OPOXOLGCONBXDX-UHFFFAOYSA-N -1 1 237.209 2.391 20 0 BEADMM CCc1nnc(-c2cccc([O-])c2F)o1 ZINC001255132937 969947904 /nfs/dbraw/zinc/94/79/04/969947904.db2.gz YZGVIJGFHGHDOU-UHFFFAOYSA-N -1 1 208.192 2.144 20 0 BEADMM Nc1cnn(-c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210923425 970072303 /nfs/dbraw/zinc/07/23/03/970072303.db2.gz SWXZWLVMJUUKRV-UHFFFAOYSA-N -1 1 244.081 2.467 20 0 BEADMM C=C(Nc1cnnc([O-])c1)c1ccccc1 ZINC001210982883 970093292 /nfs/dbraw/zinc/09/32/92/970093292.db2.gz IJZCSUODWHRJQM-UHFFFAOYSA-N -1 1 213.240 2.265 20 0 BEADMM COc1ncc([N-]c2nnc(C)o2)cc1Cl ZINC001211045597 970130592 /nfs/dbraw/zinc/13/05/92/970130592.db2.gz DQKHODYRHJAEPO-UHFFFAOYSA-N -1 1 240.650 2.179 20 0 BEADMM Cn1cc(-c2cc(F)c([O-])cc2F)ccc1=O ZINC001211338674 970235276 /nfs/dbraw/zinc/23/52/76/970235276.db2.gz GXKCONLXVNDVOZ-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM NC(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342905 970483116 /nfs/dbraw/zinc/48/31/16/970483116.db2.gz PHJWDQYOTIZIGP-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM CC(C)(C)[C@H]1CC[C@H](OCc2nn[n-]n2)CC1 ZINC001223026548 972804345 /nfs/dbraw/zinc/80/43/45/972804345.db2.gz APFJIEPPUMJVSU-MGCOHNPYSA-N -1 1 238.335 2.321 20 0 BEADMM CC(C)[C@H]1CC[C@H](C)C[C@H]1OCc1nn[n-]n1 ZINC001223029996 972811507 /nfs/dbraw/zinc/81/15/07/972811507.db2.gz RTPOQGUFZLPIGG-HBNTYKKESA-N -1 1 238.335 2.177 20 0 BEADMM [O-]c1cc(F)c(CN2CC(C(F)F)C2)c(F)c1 ZINC001144567100 972872857 /nfs/dbraw/zinc/87/28/57/972872857.db2.gz CYCZEPVRWGMISW-UHFFFAOYSA-N -1 1 249.207 2.367 20 0 BEADMM O=C([O-])C1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000398014478 973053523 /nfs/dbraw/zinc/05/35/23/973053523.db2.gz FPUBSPJHFDUYCX-RTBKNWGFSA-N -1 1 247.285 2.407 20 0 BEADMM C[C@@H]1C[C@@H]1c1ccc(CN2CC(C)(C(=O)[O-])C2)o1 ZINC000399329687 973215281 /nfs/dbraw/zinc/21/52/81/973215281.db2.gz NWPDUAMMIQFSRG-KOLCDFICSA-N -1 1 249.310 2.310 20 0 BEADMM C[C@H](OCC[P@](=O)([O-])O)c1ccc(F)cc1 ZINC001224601867 973786442 /nfs/dbraw/zinc/78/64/42/973786442.db2.gz LTXDUTZSWFEMHW-QMMMGPOBSA-N -1 1 248.190 2.081 20 0 BEADMM CC(C)CCC[C@H](C)OCC[P@](=O)([O-])O ZINC001224607836 973793492 /nfs/dbraw/zinc/79/34/92/973793492.db2.gz WMYBMWSQPDAOQB-JTQLQIEISA-N -1 1 238.264 2.396 20 0 BEADMM Cc1nc(NC(=O)c2ccccc2[O-])oc1C ZINC001147961209 973794462 /nfs/dbraw/zinc/79/44/62/973794462.db2.gz ATBQTSYBPUGIEY-UHFFFAOYSA-N -1 1 232.239 2.249 20 0 BEADMM Cc1csc([C@H](C)[N-]c2nc(C)no2)n1 ZINC000235552214 973868965 /nfs/dbraw/zinc/86/89/65/973868965.db2.gz UMBLPWNUVTUJPR-LURJTMIESA-N -1 1 224.289 2.316 20 0 BEADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccnc1 ZINC001225760385 974672340 /nfs/dbraw/zinc/67/23/40/974672340.db2.gz FNXRBNKUDOWRLT-SSDOTTSWSA-N -1 1 249.295 2.006 20 0 BEADMM O=c1cc(OC(C2CC2)C2CC2)[nH]c(=S)[n-]1 ZINC001225765520 974673138 /nfs/dbraw/zinc/67/31/38/974673138.db2.gz MGMBIZSARBUHTD-UHFFFAOYSA-N -1 1 238.312 2.038 20 0 BEADMM C[C@H](Oc1cnc[n-]c1=O)c1cccs1 ZINC001227044532 975233001 /nfs/dbraw/zinc/23/30/01/975233001.db2.gz FKVYXFFUQBZYFD-ZETCQYMHSA-N -1 1 222.269 2.384 20 0 BEADMM O=c1[n-]cncc1O[C@@H]1CCc2ccccc21 ZINC001227045880 975234423 /nfs/dbraw/zinc/23/44/23/975234423.db2.gz UMQAMLFHNXMILL-LLVKDONJSA-N -1 1 228.251 2.249 20 0 BEADMM COc1ccc([C@H](C)Oc2cnc[n-]c2=O)cc1 ZINC001227048480 975235199 /nfs/dbraw/zinc/23/51/99/975235199.db2.gz DSKVUXOXJDAQBI-VIFPVBQESA-N -1 1 246.266 2.331 20 0 BEADMM O=C(CC1CC1)Nc1cc(F)cc(F)c1[O-] ZINC001332647945 975237592 /nfs/dbraw/zinc/23/75/92/975237592.db2.gz WBBGQFQOCLDHMA-UHFFFAOYSA-N -1 1 227.210 2.409 20 0 BEADMM C[C@H]1CCC[C@H](C)C1Oc1cnc[n-]c1=O ZINC001227050525 975238233 /nfs/dbraw/zinc/23/82/33/975238233.db2.gz ACVUXJFTTXHYHC-IUCAKERBSA-N -1 1 222.288 2.386 20 0 BEADMM Cc1cc(CNC[C@H](F)C(=O)[O-])ccc1Cl ZINC001333188149 975540717 /nfs/dbraw/zinc/54/07/17/975540717.db2.gz RVBFWEPPIXNZOH-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM Cc1ccccc1Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001173815850 975575529 /nfs/dbraw/zinc/57/55/29/975575529.db2.gz FWRXNRYZMKAWNG-UHFFFAOYSA-N -1 1 244.298 2.300 20 0 BEADMM C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)C1=CC=C[CH]1 ZINC001227810847 975710967 /nfs/dbraw/zinc/71/09/67/975710967.db2.gz YGPDAZQFEDSNQT-QMMMGPOBSA-N -1 1 242.258 2.131 20 0 BEADMM CSc1nc(O[C@@H](C)C(C)C)cc(=O)[n-]1 ZINC001228091219 975903517 /nfs/dbraw/zinc/90/35/17/975903517.db2.gz XJQBZKMULZFRPA-ZETCQYMHSA-N -1 1 228.317 2.327 20 0 BEADMM CSc1nc(O[C@@H](C)C2CCC2)cc(=O)[n-]1 ZINC001228090104 975903749 /nfs/dbraw/zinc/90/37/49/975903749.db2.gz IWBVJWLSGXJWLT-ZETCQYMHSA-N -1 1 240.328 2.472 20 0 BEADMM C[C@@H]1CCCC[C@@H]1Oc1cnnc(=S)[n-]1 ZINC001228642379 976400885 /nfs/dbraw/zinc/40/08/85/976400885.db2.gz PCLLOYKZZVWYDH-SFYZADRCSA-N -1 1 225.317 2.118 20 0 BEADMM C[C@H]1CC(Oc2cnnc(=S)[n-]2)C[C@H](C)C1 ZINC001228642024 976405061 /nfs/dbraw/zinc/40/50/61/976405061.db2.gz MCSAJOOSKAOFKZ-HTQZYQBOSA-N -1 1 239.344 2.364 20 0 BEADMM CCc1c(C(C)C)[n-]n(Cc2ccccn2)c1=O ZINC001330686955 976408818 /nfs/dbraw/zinc/40/88/18/976408818.db2.gz GTRCIHFFVQCIPZ-LBPRGKRZSA-N -1 1 245.326 2.462 20 0 BEADMM CCCC[C@H](NCc1ccc(OC)o1)C(=O)[O-] ZINC001334398104 976493341 /nfs/dbraw/zinc/49/33/41/976493341.db2.gz PVBPDZVSHXTEEM-JTQLQIEISA-N -1 1 241.287 2.021 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)CC(C1CC1)C1CC1 ZINC001334404929 976498746 /nfs/dbraw/zinc/49/87/46/976498746.db2.gz KTKAENCOVZQMGU-UHFFFAOYSA-N -1 1 249.314 2.189 20 0 BEADMM Cc1nn(C)cc1Nc1ccnc(Cl)c1[O-] ZINC001174335234 976556850 /nfs/dbraw/zinc/55/68/50/976556850.db2.gz ZQBMMLBVWSRAEO-UHFFFAOYSA-N -1 1 238.678 2.226 20 0 BEADMM Cc1c(Nc2ccc(F)c(F)c2[O-])cnn1C ZINC001174392599 976581668 /nfs/dbraw/zinc/58/16/68/976581668.db2.gz IMLZNBQHZRDKEX-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM C[C@H](Oc1nnc2c[nH]ccc1-2)C1=CC=C[CH]1 ZINC001228991297 976617706 /nfs/dbraw/zinc/61/77/06/976617706.db2.gz XHMGHVNMWQNLDF-VIFPVBQESA-N -1 1 226.259 2.426 20 0 BEADMM O=C([O-])C=Cc1cccc(Nc2ccncc2)c1 ZINC001174494159 976715172 /nfs/dbraw/zinc/71/51/72/976715172.db2.gz REIDYEHEIKPMRF-SNAWJCMRSA-N -1 1 240.262 2.345 20 0 BEADMM [O-]c1cc(OC2COC2)c(Cl)cc1Cl ZINC001229409740 976861853 /nfs/dbraw/zinc/86/18/53/976861853.db2.gz GQHUENBHVLVXGG-UHFFFAOYSA-N -1 1 235.066 2.477 20 0 BEADMM Nc1nonc1[N-]c1ccc(C(F)F)cc1 ZINC001174711175 976964525 /nfs/dbraw/zinc/96/45/25/976964525.db2.gz CELJWIPAFDISQG-UHFFFAOYSA-N -1 1 226.186 2.333 20 0 BEADMM C[C@@H](Oc1nc[nH]c(=O)c1Cl)C1=CC=C[CH]1 ZINC001230018784 977072067 /nfs/dbraw/zinc/07/20/67/977072067.db2.gz UAXFAKDBRWUBDY-SSDOTTSWSA-N -1 1 237.666 2.303 20 0 BEADMM CCC[C@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230018771 977075746 /nfs/dbraw/zinc/07/57/46/977075746.db2.gz CPALBOUYCNGCIC-ZETCQYMHSA-N -1 1 226.276 2.067 20 0 BEADMM COc1c(O[C@H]2CC[C@@H](C)C2)nc(C)[n-]c1=O ZINC001230020543 977077376 /nfs/dbraw/zinc/07/73/76/977077376.db2.gz DFCXFBWFANCBJT-APPZFPTMSA-N -1 1 238.287 2.067 20 0 BEADMM CC[C@H](C)[C@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230020642 977081269 /nfs/dbraw/zinc/08/12/69/977081269.db2.gz GFHRTGCYKPITQL-YUMQZZPRSA-N -1 1 240.303 2.313 20 0 BEADMM CSc1nc(Nc2cccc(O)c2)cc(=O)[n-]1 ZINC001174888288 977117870 /nfs/dbraw/zinc/11/78/70/977117870.db2.gz MDSZGGPPTFRXHR-UHFFFAOYSA-N -1 1 249.295 2.353 20 0 BEADMM O=c1nc(NCCCC(F)F)cc(Cl)[n-]1 ZINC001335541365 977134016 /nfs/dbraw/zinc/13/40/16/977134016.db2.gz WIRYYTIDYSJSRM-UHFFFAOYSA-N -1 1 237.637 2.293 20 0 BEADMM COC(=O)c1c[n-]c(O[C@H]2CCC[C@H](C)C2)n1 ZINC001230279964 977155530 /nfs/dbraw/zinc/15/55/30/977155530.db2.gz KQDWJYRSHGMOQH-IUCAKERBSA-N -1 1 238.287 2.154 20 0 BEADMM COC(=O)c1c[n-]c(O[C@H]2CCCC[C@@H]2C)n1 ZINC001230280552 977157558 /nfs/dbraw/zinc/15/75/58/977157558.db2.gz VFGLYAOXCCEMBH-WPRPVWTQSA-N -1 1 238.287 2.154 20 0 BEADMM COC(=O)c1c[n-]c(O[C@@H]2CCCC[C@H]2C)n1 ZINC001230280549 977159700 /nfs/dbraw/zinc/15/97/00/977159700.db2.gz VFGLYAOXCCEMBH-PSASIEDQSA-N -1 1 238.287 2.154 20 0 BEADMM Cc1ccc(C(=O)[O-])cc1Nc1cncn1C ZINC001174980980 977216648 /nfs/dbraw/zinc/21/66/48/977216648.db2.gz FCCBKOKWWMHQQC-UHFFFAOYSA-N -1 1 231.255 2.170 20 0 BEADMM Cn1cncc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175162009 977313760 /nfs/dbraw/zinc/31/37/60/977313760.db2.gz VFJNNWOZKYGPMX-UHFFFAOYSA-N -1 1 235.218 2.001 20 0 BEADMM COc1nonc1[N-]c1ccc2n[nH]cc2c1C ZINC001175469573 977439739 /nfs/dbraw/zinc/43/97/39/977439739.db2.gz XGEWTOCRPGNXOW-UHFFFAOYSA-N -1 1 245.242 2.007 20 0 BEADMM Fc1cnc([N-]c2cncs2)s1 ZINC001175496184 977452695 /nfs/dbraw/zinc/45/26/95/977452695.db2.gz WDTZTRFHXHAVTG-UHFFFAOYSA-N -1 1 201.251 2.482 20 0 BEADMM [O-]c1cc(CN2CC3(CCO3)C2)ccc1Cl ZINC001231733781 977713263 /nfs/dbraw/zinc/71/32/63/977713263.db2.gz HCYVUZXMATZIJY-UHFFFAOYSA-N -1 1 239.702 2.020 20 0 BEADMM Cc1nonc1[N-]c1cccnc1OC(C)C ZINC001176730652 978167738 /nfs/dbraw/zinc/16/77/38/978167738.db2.gz SZIBJCGXFBPRIJ-UHFFFAOYSA-N -1 1 234.259 2.304 20 0 BEADMM CN(CCF)Cc1ccc(F)c([O-])c1F ZINC001232939964 978350779 /nfs/dbraw/zinc/35/07/79/978350779.db2.gz VVNVMKGFNMRXNK-UHFFFAOYSA-N -1 1 219.206 2.072 20 0 BEADMM C[C@H]1CCN1Cc1cc(Cl)ncc1[O-] ZINC001233033053 978421533 /nfs/dbraw/zinc/42/15/33/978421533.db2.gz YMORAZUUFPXIFM-ZETCQYMHSA-N -1 1 212.680 2.035 20 0 BEADMM Cc1occc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001598368197 978426756 /nfs/dbraw/zinc/42/67/56/978426756.db2.gz KQRDXUSSZWZDLT-UHFFFAOYSA-N -1 1 249.241 2.363 20 0 BEADMM [S-]c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001233258899 978518695 /nfs/dbraw/zinc/51/86/95/978518695.db2.gz YFXVNGJKRUMZJB-TXEJJXNPSA-N -1 1 235.352 2.339 20 0 BEADMM Cc1cc(CNc2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC001600211152 978681170 /nfs/dbraw/zinc/68/11/70/978681170.db2.gz JBDLYQDZMMEDOP-UHFFFAOYSA-N -1 1 245.282 2.337 20 0 BEADMM Cc1ccccc1[C@@H](Sc1c[nH]nn1)C(=O)[O-] ZINC001600574070 978703580 /nfs/dbraw/zinc/70/35/80/978703580.db2.gz OAZPDXMIPKICNC-SNVBAGLBSA-N -1 1 249.295 2.031 20 0 BEADMM O=c1[nH]cccc1Nc1ccnc(Cl)c1[O-] ZINC001206439659 978990625 /nfs/dbraw/zinc/99/06/25/978990625.db2.gz OTYGTEYOIBKKID-UHFFFAOYSA-N -1 1 237.646 2.285 20 0 BEADMM O=C([O-])c1occc1CN1CC(CC(F)F)C1 ZINC001602587621 979137939 /nfs/dbraw/zinc/13/79/39/979137939.db2.gz AKXQDVOSYNBMBL-UHFFFAOYSA-N -1 1 245.225 2.065 20 0 BEADMM CCC(CC)(CCSc1c[nH]nn1)C(=O)[O-] ZINC001595062784 979319820 /nfs/dbraw/zinc/31/98/20/979319820.db2.gz GSRZWMYSBVBDPP-UHFFFAOYSA-N -1 1 243.332 2.178 20 0 BEADMM CC(C)CCSc1cccnc1-c1nnn[n-]1 ZINC001603284567 979429637 /nfs/dbraw/zinc/42/96/37/979429637.db2.gz CWZZHECYIAMAQB-UHFFFAOYSA-N -1 1 249.343 2.400 20 0 BEADMM CC(C)CCSc1cccnc1-c1nn[n-]n1 ZINC001603284567 979429652 /nfs/dbraw/zinc/42/96/52/979429652.db2.gz CWZZHECYIAMAQB-UHFFFAOYSA-N -1 1 249.343 2.400 20 0 BEADMM CC(C)(C)C(F)(F)CN[C@@H](C(=O)[O-])C1CC1 ZINC001603307528 979433244 /nfs/dbraw/zinc/43/32/44/979433244.db2.gz LVAKVEVWHRRMCM-MRVPVSSYSA-N -1 1 235.274 2.121 20 0 BEADMM CC(C)CSc1cccnc1-c1nnn[n-]1 ZINC001603304234 979433877 /nfs/dbraw/zinc/43/38/77/979433877.db2.gz LGXRBDBWXXLDGW-UHFFFAOYSA-N -1 1 235.316 2.010 20 0 BEADMM CC(C)CSc1cccnc1-c1nn[n-]n1 ZINC001603304234 979433885 /nfs/dbraw/zinc/43/38/85/979433885.db2.gz LGXRBDBWXXLDGW-UHFFFAOYSA-N -1 1 235.316 2.010 20 0 BEADMM CCCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604180604 979593524 /nfs/dbraw/zinc/59/35/24/979593524.db2.gz VOIHCBQQMGLFCI-UHFFFAOYSA-N -1 1 246.318 2.172 20 0 BEADMM CCCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604180604 979593532 /nfs/dbraw/zinc/59/35/32/979593532.db2.gz VOIHCBQQMGLFCI-UHFFFAOYSA-N -1 1 246.318 2.172 20 0 BEADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001183562659 979846069 /nfs/dbraw/zinc/84/60/69/979846069.db2.gz MLMDNWOSYNYNLI-RKDXNWHRSA-N -1 1 237.303 2.270 20 0 BEADMM Cc1nocc1[N-]C(=O)c1coc(C2CC2)n1 ZINC001331406757 979892452 /nfs/dbraw/zinc/89/24/52/979892452.db2.gz VEJVUPHCKKAERP-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM CCc1oc(CN2CC(CC)C2)cc1C(=O)[O-] ZINC001605890904 979925465 /nfs/dbraw/zinc/92/54/65/979925465.db2.gz ZISWXCISBSKCOD-UHFFFAOYSA-N -1 1 237.299 2.382 20 0 BEADMM Cc1cc(Cl)ccc1CN[C@@H](CF)C(=O)[O-] ZINC001607656987 980123861 /nfs/dbraw/zinc/12/38/61/980123861.db2.gz SUUVXDQOABKUIX-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM Cc1ccc(CN[C@H](CF)C(=O)[O-])cc1Cl ZINC001607782707 980129011 /nfs/dbraw/zinc/12/90/11/980129011.db2.gz DPXAQPDYZPMWAO-SNVBAGLBSA-N -1 1 245.681 2.161 20 0 BEADMM CN(C)Cc1c(Br)ccc([O-])c1F ZINC001238306731 980238715 /nfs/dbraw/zinc/23/87/15/980238715.db2.gz QQAWQHNUSCWUQR-UHFFFAOYSA-N -1 1 248.095 2.355 20 0 BEADMM O=C([O-])CC1CC(Nc2cc3c(cn2)CCC3)C1 ZINC001608692975 980267701 /nfs/dbraw/zinc/26/77/01/980267701.db2.gz KQKMKRBFEBHYGR-UHFFFAOYSA-N -1 1 246.310 2.236 20 0 BEADMM O=C(NC[C@H]1C[C@H](F)C1)c1ccc([O-])cc1F ZINC001186337662 980367511 /nfs/dbraw/zinc/36/75/11/980367511.db2.gz PFIDZLPRVPKXHG-ZKCHVHJHSA-N -1 1 241.237 2.009 20 0 BEADMM O=C(NCC1CC1)Nc1cc(F)c([O-])c(F)c1 ZINC001186613224 980414042 /nfs/dbraw/zinc/41/40/42/980414042.db2.gz IMEUPPVJEOSFFE-UHFFFAOYSA-N -1 1 242.225 2.202 20 0 BEADMM Cc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001239489945 980645898 /nfs/dbraw/zinc/64/58/98/980645898.db2.gz VXSNYEFYAHUSRG-UHFFFAOYSA-N -1 1 248.218 2.465 20 0 BEADMM Cc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001239489945 980645915 /nfs/dbraw/zinc/64/59/15/980645915.db2.gz VXSNYEFYAHUSRG-UHFFFAOYSA-N -1 1 248.218 2.465 20 0 BEADMM [O-]c1cc(F)c(Cc2cnccn2)c(F)c1 ZINC001250372019 980870512 /nfs/dbraw/zinc/87/05/12/980870512.db2.gz HMIKLUUCMLGDIA-UHFFFAOYSA-N -1 1 222.194 2.051 20 0 BEADMM CCN(CC)C(=O)c1cc([O-])cc(F)c1F ZINC001192652303 981178462 /nfs/dbraw/zinc/17/84/62/981178462.db2.gz YTUJOUDOIKRXRW-UHFFFAOYSA-N -1 1 229.226 2.152 20 0 BEADMM [O-]c1ccc(F)cc1-c1ncnc2[nH]ccc21 ZINC001240694133 981599956 /nfs/dbraw/zinc/59/99/56/981599956.db2.gz NQJQNDMXYQRCOD-UHFFFAOYSA-N -1 1 229.214 2.421 20 0 BEADMM O=C1Cc2cnc(-c3cc(F)ccc3[O-])cc2N1 ZINC001240694001 981600758 /nfs/dbraw/zinc/60/07/58/981600758.db2.gz LVWWHEGNPIVHLY-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM CCOc1nccc(-c2cc(F)ccc2[O-])n1 ZINC001240694009 981601083 /nfs/dbraw/zinc/60/10/83/981601083.db2.gz MCRJXGQWURBGOV-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM COCc1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240696836 981607520 /nfs/dbraw/zinc/60/75/20/981607520.db2.gz YHSWGZNCQDACTG-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM [O-]c1ccc(-c2ncc3c(n2)CCCN3)cc1F ZINC001240781772 981819558 /nfs/dbraw/zinc/81/95/58/981819558.db2.gz IOAPFVOSBRZCBI-UHFFFAOYSA-N -1 1 245.257 2.346 20 0 BEADMM COc1nc(-c2ccc([O-])c(F)c2)ncc1F ZINC001240783143 981824114 /nfs/dbraw/zinc/82/41/14/981824114.db2.gz MBUYFZMFXYZBFS-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM CCOc1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240784254 981826443 /nfs/dbraw/zinc/82/64/43/981826443.db2.gz WGKGNBRWFDALRF-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM [O-]c1ccc(-c2ncnn3cccc23)cc1F ZINC001240786783 981828371 /nfs/dbraw/zinc/82/83/71/981828371.db2.gz VBWLIDFXEJNDPD-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CSC[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001586452467 981995378 /nfs/dbraw/zinc/99/53/78/981995378.db2.gz ZPNQVYAIWTYYRV-ZETCQYMHSA-N -1 1 243.303 2.013 20 0 BEADMM O=C(Nc1c([O-])cccc1F)OCCF ZINC001194963036 982002520 /nfs/dbraw/zinc/00/25/20/982002520.db2.gz CNZQQQADCYIZHA-UHFFFAOYSA-N -1 1 217.171 2.049 20 0 BEADMM O=C(NCCCC1CCCC1)c1ccc([O-])cn1 ZINC001586758748 982016353 /nfs/dbraw/zinc/01/63/53/982016353.db2.gz VPXBURLORBPFBV-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM COc1cncnc1-c1c(F)cc([O-])cc1F ZINC001241117307 982234090 /nfs/dbraw/zinc/23/40/90/982234090.db2.gz MBPCTVQWIDTIEQ-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM COc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241117786 982235762 /nfs/dbraw/zinc/23/57/62/982235762.db2.gz RMQBVWCIICDBEV-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM COc1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241118264 982235891 /nfs/dbraw/zinc/23/58/91/982235891.db2.gz AOZRGNZSBMVFJQ-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Nc1cccnc1-c1c(F)ccc([O-])c1F ZINC001241290763 982424640 /nfs/dbraw/zinc/42/46/40/982424640.db2.gz CUPMRKHRTMZPJO-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM [O-]c1ccc(F)c(-c2ccc(F)nn2)c1F ZINC001241289308 982428203 /nfs/dbraw/zinc/42/82/03/982428203.db2.gz PAISUDFDJCTFRK-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM COc1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289658 982430432 /nfs/dbraw/zinc/43/04/32/982430432.db2.gz CRXFUKZURWDXEX-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM C[C@H]1CCc2[n-]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086276 982460213 /nfs/dbraw/zinc/46/02/13/982460213.db2.gz ZELZOPHDVBIPTM-JQWIXIFHSA-N -1 1 243.310 2.216 20 0 BEADMM CCCN(C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595837101 982746807 /nfs/dbraw/zinc/74/68/07/982746807.db2.gz URRRQHKSRPFCHQ-ZETCQYMHSA-N -1 1 228.317 2.244 20 0 BEADMM CCC[C@@H](C)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590552641 982958381 /nfs/dbraw/zinc/95/83/81/982958381.db2.gz GBNACQHGZNMPSV-SECBINFHSA-N -1 1 246.318 2.171 20 0 BEADMM CCC[C@@H](C)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590552641 982958398 /nfs/dbraw/zinc/95/83/98/982958398.db2.gz GBNACQHGZNMPSV-SECBINFHSA-N -1 1 246.318 2.171 20 0 BEADMM Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001592208999 983126215 /nfs/dbraw/zinc/12/62/15/983126215.db2.gz FUIMNKXNGHHNQA-UHFFFAOYSA-N -1 1 243.295 2.299 20 0 BEADMM Nc1ccc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001201278322 983178118 /nfs/dbraw/zinc/17/81/18/983178118.db2.gz 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2.312 20 0 BEADMM O=C([O-])c1ccc(-c2cncc3cc[nH]c32)cn1 ZINC001242335806 983579587 /nfs/dbraw/zinc/57/95/87/983579587.db2.gz PCRABTVKQFORJH-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM Cc1nc2cnc(-c3cccc(C)c3[O-])nc2[nH]1 ZINC001242344950 983597590 /nfs/dbraw/zinc/59/75/90/983597590.db2.gz XPYXZILPRAGBNY-UHFFFAOYSA-N -1 1 240.266 2.294 20 0 BEADMM [O-]c1c(Cl)cccc1-c1ncc2c(n1)CNC2 ZINC001242363519 983652703 /nfs/dbraw/zinc/65/27/03/983652703.db2.gz BYPHULNLDNZMGQ-UHFFFAOYSA-N -1 1 247.685 2.106 20 0 BEADMM CC(C)NC(=O)Nc1cc(F)c([O-])cc1F ZINC001202527309 983867663 /nfs/dbraw/zinc/86/76/63/983867663.db2.gz PKTJSIYOOGWVKF-UHFFFAOYSA-N -1 1 230.214 2.200 20 0 BEADMM CC1(CNC(=O)c2cccc([O-])c2F)CCC1 ZINC001137142662 983969973 /nfs/dbraw/zinc/96/99/73/983969973.db2.gz MYJJWMSOSJIPOE-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CCCNC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001202596217 984118478 /nfs/dbraw/zinc/11/84/78/984118478.db2.gz SFAMGCYJPPIJRP-UHFFFAOYSA-N -1 1 230.214 2.202 20 0 BEADMM CCC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC001253366793 984127721 /nfs/dbraw/zinc/12/77/21/984127721.db2.gz JEAKMCILTRLICE-UHFFFAOYSA-N -1 1 241.312 2.041 20 0 BEADMM CCc1cccc(-c2noc(-c3cn[n-]n3)n2)c1 ZINC001212799111 984164748 /nfs/dbraw/zinc/16/47/48/984164748.db2.gz JPOXRPPPVCNHNF-UHFFFAOYSA-N -1 1 241.254 2.084 20 0 BEADMM Cc1ccc(-c2noc(-c3cn[n-]n3)n2)c(C)c1 ZINC001212799123 984164784 /nfs/dbraw/zinc/16/47/84/984164784.db2.gz KDOVPGXYQBXOEJ-UHFFFAOYSA-N -1 1 241.254 2.139 20 0 BEADMM Cn1cc(-c2cccc([O-])c2Cl)ccc1=O ZINC001242800649 984169721 /nfs/dbraw/zinc/16/97/21/984169721.db2.gz PJELJCBKNNLXLQ-UHFFFAOYSA-N -1 1 235.670 2.411 20 0 BEADMM COc1ncc(F)c(-c2ccc(F)c([O-])c2)n1 ZINC001243054265 984417569 /nfs/dbraw/zinc/41/75/69/984417569.db2.gz MAZQIWZVDVEWCB-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)nc1 ZINC001441125044 984471649 /nfs/dbraw/zinc/47/16/49/984471649.db2.gz WYLSTOLPKUQDMJ-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Cc1occc1CNC(=O)c1cccc([O-])c1F 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388024510 /nfs/dbraw/zinc/02/45/10/388024510.db2.gz LHIDBBLXNUFIFZ-NRUUGDAUSA-N -1 1 248.326 2.342 20 0 BEADMM CN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000082306490 388027940 /nfs/dbraw/zinc/02/79/40/388027940.db2.gz OTYORUWDVCXQIN-UHFFFAOYSA-N -1 1 242.278 2.059 20 0 BEADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000085069751 388083376 /nfs/dbraw/zinc/08/33/76/388083376.db2.gz YQYGGVZSLZRORH-GHMZBOCLSA-N -1 1 248.326 2.486 20 0 BEADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c[nH]1 ZINC000645926919 388140611 /nfs/dbraw/zinc/14/06/11/388140611.db2.gz QEPCBZGCXGAADW-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM CC[C@@H](OC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456794475 388222374 /nfs/dbraw/zinc/22/23/74/388222374.db2.gz QCLSTIGVKJMQGL-MRVPVSSYSA-N -1 1 245.225 2.034 20 0 BEADMM Cc1ccc(C)c(CSCc2nn[n-]n2)c1 ZINC000490392330 388238297 /nfs/dbraw/zinc/23/82/97/388238297.db2.gz GHMREPHRTVYSLC-UHFFFAOYSA-N -1 1 234.328 2.250 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000646410540 388351806 /nfs/dbraw/zinc/35/18/06/388351806.db2.gz LYRBGWGLOKOPTE-VXNVDRBHSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)ccc1C ZINC000646410675 388351822 /nfs/dbraw/zinc/35/18/22/388351822.db2.gz RMWGRZFAGLLBAW-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM Cc1cscc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646409619 388352152 /nfs/dbraw/zinc/35/21/52/388352152.db2.gz ONCZLCCLJUJSDA-UHFFFAOYSA-N -1 1 237.284 2.046 20 0 BEADMM O=C(c1ncccc1[O-])N1CCC(C2CC2)CC1 ZINC000646764426 388488188 /nfs/dbraw/zinc/48/81/88/388488188.db2.gz QDRIVKVBKOOAMT-UHFFFAOYSA-N -1 1 246.310 2.049 20 0 BEADMM CCC[C@@](C)(O)C(=O)Nc1cccc(F)c1[O-] ZINC000530007151 388603910 /nfs/dbraw/zinc/60/39/10/388603910.db2.gz YLIPGFGXRVTBFV-GFCCVEGCSA-N -1 1 241.262 2.021 20 0 BEADMM C[C@H](CC1CC1)NC(=O)c1cc(F)ccc1[O-] ZINC000080027860 388551539 /nfs/dbraw/zinc/55/15/39/388551539.db2.gz KUBDQANJXOLPBD-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM CC1(C)C[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000227118733 388741895 /nfs/dbraw/zinc/74/18/95/388741895.db2.gz DSJDLSNKHBROHG-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM CCCCCNC(=O)c1ccc([O-])cc1F ZINC000226266516 388713596 /nfs/dbraw/zinc/71/35/96/388713596.db2.gz LKWFFLYUKASDOV-UHFFFAOYSA-N -1 1 225.263 2.451 20 0 BEADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000128690434 388785097 /nfs/dbraw/zinc/78/50/97/388785097.db2.gz WICSJCMFYYOTLP-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CCC=C(F)C1 ZINC000272069775 389029286 /nfs/dbraw/zinc/02/92/86/389029286.db2.gz HSXBAPRGZCSRRL-UHFFFAOYSA-N -1 1 239.221 2.231 20 0 BEADMM O=C(Cc1ccoc1)Nc1ccc(F)cc1[O-] ZINC000336070023 134071684 /nfs/dbraw/zinc/07/16/84/134071684.db2.gz KMCIELGPUSLVOF-UHFFFAOYSA-N -1 1 235.214 2.306 20 0 BEADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ncc(C)cc1[O-] ZINC000336102258 134083709 /nfs/dbraw/zinc/08/37/09/134083709.db2.gz CGKBHYILMCVDFB-WDEREUQCSA-N -1 1 248.326 2.356 20 0 BEADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000336112967 134087164 /nfs/dbraw/zinc/08/71/64/134087164.db2.gz XDVLBRODSVGQPY-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM O=S(=O)([N-]C1CCCC1)c1sccc1F ZINC000336128403 134093922 /nfs/dbraw/zinc/09/39/22/134093922.db2.gz FUAZVDHZGVUSNM-UHFFFAOYSA-N -1 1 249.332 2.108 20 0 BEADMM O=C(c1ncccc1[O-])N1CCC2(CCCC2)C1 ZINC000174849248 134284844 /nfs/dbraw/zinc/28/48/44/134284844.db2.gz LILHEZZKBRAIMH-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM CC[C@H](C)[C@H](Nc1cc(C)ccn1)C(=O)[O-] ZINC000257664339 135138213 /nfs/dbraw/zinc/13/82/13/135138213.db2.gz XEVBQXZCOCKRCJ-ONGXEEELSA-N -1 1 222.288 2.301 20 0 BEADMM O=C([O-])[C@@H]1CCCN1Cc1ccc2occc2c1 ZINC000263395986 135351407 /nfs/dbraw/zinc/35/14/07/135351407.db2.gz GOIBBWAEINLKAK-LBPRGKRZSA-N -1 1 245.278 2.482 20 0 BEADMM O=C(N[C@H]1CC[C@H](F)C1)c1c([O-])cccc1F ZINC000334377780 135378189 /nfs/dbraw/zinc/37/81/89/135378189.db2.gz WXUINNAXODTTQJ-YUMQZZPRSA-N -1 1 241.237 2.152 20 0 BEADMM CC1(C)CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000079679833 135397569 /nfs/dbraw/zinc/39/75/69/135397569.db2.gz IGXZQHXCIKFOEX-UHFFFAOYSA-N -1 1 248.326 2.486 20 0 BEADMM CC[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000085069752 135478674 /nfs/dbraw/zinc/47/86/74/135478674.db2.gz YQYGGVZSLZRORH-WDEREUQCSA-N -1 1 248.326 2.486 20 0 BEADMM Cc1nc(SCC(=O)C(C)C)[n-]c(=O)c1C ZINC000346720028 135970815 /nfs/dbraw/zinc/97/08/15/135970815.db2.gz CMOWTHQKAUWFCN-UHFFFAOYSA-N -1 1 240.328 2.116 20 0 BEADMM Cc1cnc(C(=O)N2CC[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000335548552 136097258 /nfs/dbraw/zinc/09/72/58/136097258.db2.gz FDXVASAZUQEQQF-MWLCHTKSSA-N -1 1 248.326 2.356 20 0 BEADMM CC(C)[C@@H]1N(C(=O)c2ncccc2[O-])CC1(C)C ZINC000294060380 398121829 /nfs/dbraw/zinc/12/18/29/398121829.db2.gz WETSBZFGMSXFQB-LBPRGKRZSA-N -1 1 248.326 2.294 20 0 BEADMM O=C(CCn1cccc1)Nc1c([O-])cccc1F ZINC000674326176 487560864 /nfs/dbraw/zinc/56/08/64/487560864.db2.gz HADCQCNMEFHTJN-UHFFFAOYSA-N -1 1 248.257 2.362 20 0 BEADMM Cc1cnc(C(=O)N[C@@]23C[C@@H]2CCCC3)c([O-])c1 ZINC001648767269 1172871349 /nfs/dbraw/zinc/87/13/49/1172871349.db2.gz RGDRTEXLHNYAKU-HZMBPMFUSA-N -1 1 246.310 2.158 20 0 BEADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccsc1 ZINC000104409643 487573027 /nfs/dbraw/zinc/57/30/27/487573027.db2.gz YZOJQLXKJXWPOT-QMMMGPOBSA-N -1 1 248.307 2.340 20 0 BEADMM CC[C@@H](c1ccccc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660850749 409868129 /nfs/dbraw/zinc/86/81/29/409868129.db2.gz XIIFDLOWTKWVEL-NSHDSACASA-N -1 1 247.298 2.358 20 0 BEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000650770647 410421732 /nfs/dbraw/zinc/42/17/32/410421732.db2.gz WLSXJCQSLPFMEI-ZETCQYMHSA-N -1 1 223.247 2.060 20 0 BEADMM CC(C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000338222150 167174249 /nfs/dbraw/zinc/17/42/49/167174249.db2.gz SQVOWGXVVFSDMJ-UHFFFAOYSA-N -1 1 246.266 2.143 20 0 BEADMM CC(C)O[N-]C(=O)Cc1ccc(Cl)s1 ZINC000296748811 167276425 /nfs/dbraw/zinc/27/64/25/167276425.db2.gz BCHPCPIFVKTCTC-UHFFFAOYSA-N -1 1 233.720 2.400 20 0 BEADMM Cc1ccc(CN(CC(=O)[O-])C2CCC2)o1 ZINC000656100146 411178063 /nfs/dbraw/zinc/17/80/63/411178063.db2.gz FQSHMARKZCIKBF-UHFFFAOYSA-N -1 1 223.272 2.027 20 0 BEADMM Cc1cccc2nc(-c3ccco3)[n-]c(=O)c12 ZINC000048606508 411206956 /nfs/dbraw/zinc/20/69/56/411206956.db2.gz OMKVOUYOPJUHDL-UHFFFAOYSA-N -1 1 226.235 2.492 20 0 BEADMM Cc1n[n-]c(=NCc2cccc(C(C)C)c2)n1C ZINC000653467952 411288423 /nfs/dbraw/zinc/28/84/23/411288423.db2.gz DJEPUEBHMUQNDG-UHFFFAOYSA-N -1 1 244.342 2.281 20 0 BEADMM Cc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])nc1 ZINC000652502584 411258886 /nfs/dbraw/zinc/25/88/86/411258886.db2.gz FMILNRAYPOPFHZ-MFKMUULPSA-N -1 1 248.326 2.075 20 0 BEADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(F)ccc1[O-] ZINC000403581500 411350682 /nfs/dbraw/zinc/35/06/82/411350682.db2.gz CAJQEEZXVPSGGZ-FXPVBKGRSA-N -1 1 249.285 2.450 20 0 BEADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([O-])cc1F ZINC000403627011 411351756 /nfs/dbraw/zinc/35/17/56/411351756.db2.gz MEJUTNTXNRSRLW-LPEHRKFASA-N -1 1 249.285 2.450 20 0 BEADMM CC1(NC(=O)c2cc(F)ccc2[O-])CCC1 ZINC000093246197 168059579 /nfs/dbraw/zinc/05/95/79/168059579.db2.gz KHENBDNBEXBCMH-UHFFFAOYSA-N -1 1 223.247 2.204 20 0 BEADMM CC1CC(NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289731681 168144580 /nfs/dbraw/zinc/14/45/80/168144580.db2.gz PTXWXWQAGPUNJL-UHFFFAOYSA-N -1 1 241.237 2.199 20 0 BEADMM CCC(C)(C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000336696720 168288359 /nfs/dbraw/zinc/28/83/59/168288359.db2.gz OEYIXTIWHPVOFB-SSDOTTSWSA-N -1 1 229.349 2.268 20 0 BEADMM CCc1cc(=O)[nH]c(C[N@H+](CC)[C@H](C)CC)n1 ZINC000661103890 411708623 /nfs/dbraw/zinc/70/86/23/411708623.db2.gz DMXSWOZCKFXFFI-SNVBAGLBSA-N -1 1 237.347 2.365 20 0 BEADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000136204597 171052481 /nfs/dbraw/zinc/05/24/81/171052481.db2.gz KZVLMXJTOMZSAQ-VHSXEESVSA-N -1 1 234.299 2.190 20 0 BEADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ncccc1[O-] ZINC000336487454 171117405 /nfs/dbraw/zinc/11/74/05/171117405.db2.gz JTEHCCYGNMXIGF-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cncc([O-])c1 ZINC000186322128 171159728 /nfs/dbraw/zinc/15/97/28/171159728.db2.gz HFDXPXPGNRSSMP-BXKDBHETSA-N -1 1 234.299 2.048 20 0 BEADMM CC[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188358766 171256536 /nfs/dbraw/zinc/25/65/36/171256536.db2.gz KLWCQXMJDFHZQX-LURJTMIESA-N -1 1 228.679 2.425 20 0 BEADMM CC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000101567895 171344819 /nfs/dbraw/zinc/34/48/19/171344819.db2.gz GMHXTWIGNCESJR-ZETCQYMHSA-N -1 1 249.282 2.042 20 0 BEADMM CC(C)(C)CN(CC(=O)[O-])Cc1ccco1 ZINC000665349312 412278371 /nfs/dbraw/zinc/27/83/71/412278371.db2.gz FWKGIBMIWTXKHN-UHFFFAOYSA-N -1 1 225.288 2.212 20 0 BEADMM CCc1ncsc1NC(=O)c1cncc([O-])c1 ZINC000339957281 172038268 /nfs/dbraw/zinc/03/82/68/172038268.db2.gz JAXYJBWKBGDKCX-UHFFFAOYSA-N -1 1 249.295 2.058 20 0 BEADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000109040623 176079997 /nfs/dbraw/zinc/07/99/97/176079997.db2.gz WYZDLDCNJSEGIB-SKDRFNHKSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000037760564 176081139 /nfs/dbraw/zinc/08/11/39/176081139.db2.gz UGKIHERWNLZIDI-ZJUUUORDSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cncc([O-])c1 ZINC000104428847 176085917 /nfs/dbraw/zinc/08/59/17/176085917.db2.gz UKUJKSODPJWCHC-ZWNOBZJWSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2cncc([O-])c2)[C@@H]1C ZINC000104427150 176095752 /nfs/dbraw/zinc/09/57/52/176095752.db2.gz SZVGAQIRTCOBSK-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000037760689 176122492 /nfs/dbraw/zinc/12/24/92/176122492.db2.gz TXIABBCXFBYPLP-NXEZZACHSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000037760687 176143276 /nfs/dbraw/zinc/14/32/76/176143276.db2.gz TXIABBCXFBYPLP-ZJUUUORDSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000123380038 176149468 /nfs/dbraw/zinc/14/94/68/176149468.db2.gz RICBJSDGNONYTI-PSASIEDQSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ncccc1[O-] ZINC000340998060 177129311 /nfs/dbraw/zinc/12/93/11/177129311.db2.gz ZQRDHEAPVNQAFQ-UWVGGRQHSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000088707581 177183033 /nfs/dbraw/zinc/18/30/33/177183033.db2.gz SAKLCXWZBSCFDQ-ZJUUUORDSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000294911854 177264396 /nfs/dbraw/zinc/26/43/96/177264396.db2.gz NIKYQQMEJKRBNC-VIFPVBQESA-N -1 1 241.718 2.266 20 0 BEADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H](C)C1 ZINC000104428867 177354933 /nfs/dbraw/zinc/35/49/33/177354933.db2.gz RARNFQUGZGNSMD-ZJUUUORDSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cocn1 ZINC000680979840 487686329 /nfs/dbraw/zinc/68/63/29/487686329.db2.gz QKOLFMBJFQORKR-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM CC(C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017227 487696242 /nfs/dbraw/zinc/69/62/42/487696242.db2.gz KULHWFXGFWZPAL-UHFFFAOYSA-N -1 1 211.236 2.012 20 0 BEADMM CC1(NC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000681057834 487701552 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ZINC000858571307 588967822 /nfs/dbraw/zinc/96/78/22/588967822.db2.gz AGZPACJRRZKWQQ-PRJMDXOYSA-N -1 1 241.722 2.316 20 0 BEADMM CN(CCCF)C(=O)c1c([O-])cccc1Cl ZINC000899817190 584241555 /nfs/dbraw/zinc/24/15/55/584241555.db2.gz LDSDZZUTUFKFDQ-UHFFFAOYSA-N -1 1 245.681 2.477 20 0 BEADMM O=c1nc(NCC2CC=CC2)cc(Cl)[n-]1 ZINC000858682107 588974186 /nfs/dbraw/zinc/97/41/86/588974186.db2.gz QIIGRSBYZCFXNK-UHFFFAOYSA-N -1 1 225.679 2.214 20 0 BEADMM Cc1ccoc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000902015435 584513847 /nfs/dbraw/zinc/51/38/47/584513847.db2.gz IUSXRLKWJMGFDU-KOLCDFICSA-N -1 1 237.299 2.273 20 0 BEADMM Cc1ccoc1CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000902015435 584513848 /nfs/dbraw/zinc/51/38/48/584513848.db2.gz IUSXRLKWJMGFDU-KOLCDFICSA-N -1 1 237.299 2.273 20 0 BEADMM Cc1coc(CNC2(C(=O)[O-])CCCC2)c1 ZINC000904007904 584837700 /nfs/dbraw/zinc/83/77/00/584837700.db2.gz VVUABZGSHNMYRB-UHFFFAOYSA-N -1 1 223.272 2.075 20 0 BEADMM CC1=C[C@@H](C)C[C@@H](CNCC(F)(F)C(=O)[O-])C1 ZINC000904032047 584837892 /nfs/dbraw/zinc/83/78/92/584837892.db2.gz HMASVKKOGLOXEV-PSASIEDQSA-N -1 1 247.285 2.288 20 0 BEADMM Cc1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000759328836 584906548 /nfs/dbraw/zinc/90/65/48/584906548.db2.gz RNWACYXDDSIBLH-UHFFFAOYSA-N -1 1 243.253 2.241 20 0 BEADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccnc1 ZINC000817421143 584986062 /nfs/dbraw/zinc/98/60/62/584986062.db2.gz PECRQDFLLYSQPJ-SNVBAGLBSA-N -1 1 234.299 2.033 20 0 BEADMM CCCN1Cc2cccc(N[C@@H](C)C(=O)[O-])c2C1 ZINC000737030204 585023037 /nfs/dbraw/zinc/02/30/37/585023037.db2.gz MXSWSOAURBZZAI-JTQLQIEISA-N -1 1 248.326 2.297 20 0 BEADMM Cc1occc1C[N-]C(=O)C(F)(F)C(F)F ZINC000749356134 585201686 /nfs/dbraw/zinc/20/16/86/585201686.db2.gz XNJUBKHQYFDEHY-UHFFFAOYSA-N -1 1 239.168 2.105 20 0 BEADMM O=C([N-]O[C@@H]1CCCCO1)C12CCC(CC1)C2 ZINC000751810469 585237140 /nfs/dbraw/zinc/23/71/40/585237140.db2.gz DCHDUNPIVNHDFM-QWKFWESOSA-N -1 1 239.315 2.141 20 0 BEADMM Cc1ccccc1CCC(=O)[N-]OCC(F)F ZINC000759325086 585367207 /nfs/dbraw/zinc/36/72/07/585367207.db2.gz TYIFGHHADQSAMR-UHFFFAOYSA-N -1 1 243.253 2.241 20 0 BEADMM O=C(/C=C\C1CC1)Nc1c([O-])cccc1F ZINC000760196657 585386478 /nfs/dbraw/zinc/38/64/78/585386478.db2.gz INBUJUXSYODWDS-SREVYHEPSA-N -1 1 221.231 2.436 20 0 BEADMM CCC[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766761201 585508132 /nfs/dbraw/zinc/50/81/32/585508132.db2.gz BKKJTPLRNFINGI-ZETCQYMHSA-N -1 1 227.226 2.423 20 0 BEADMM Cc1[nH]nc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000767943646 585528653 /nfs/dbraw/zinc/52/86/53/585528653.db2.gz OJOTZMIEWRUVDO-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM CC(=O)CCCOC(=O)c1ccc([O-])cc1F ZINC000773577188 585640656 /nfs/dbraw/zinc/64/06/56/585640656.db2.gz SSPJRIPSFSVTTG-UHFFFAOYSA-N -1 1 240.230 2.057 20 0 BEADMM COC1(C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000774792196 585666109 /nfs/dbraw/zinc/66/61/09/585666109.db2.gz VARWVOPBKLUKPI-UHFFFAOYSA-N -1 1 239.237 2.014 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC=CO1 ZINC000777872996 585721843 /nfs/dbraw/zinc/72/18/43/585721843.db2.gz FGOMFDBHEWYARX-JTQLQIEISA-N -1 1 237.230 2.163 20 0 BEADMM O=C(C[C@H]1C=CCCC1)[N-]OCC(F)(F)F ZINC000778998807 585744081 /nfs/dbraw/zinc/74/40/81/585744081.db2.gz DFKFGBIWFOQSFS-QMMMGPOBSA-N -1 1 237.221 2.343 20 0 BEADMM Cc1cnc(C(=O)NC23CCC(CC2)C3)c([O-])c1 ZINC000779090112 585744851 /nfs/dbraw/zinc/74/48/51/585744851.db2.gz ZVTBCXZNNCKVMX-UHFFFAOYSA-N -1 1 246.310 2.158 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncccn1 ZINC000780991204 585788085 /nfs/dbraw/zinc/78/80/85/585788085.db2.gz DPARTVKNJZRQTL-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM C[C@@H]1C[C@@H]1COC(=O)c1ccc([O-])cc1F ZINC000859622192 589049428 /nfs/dbraw/zinc/04/94/28/589049428.db2.gz CDDCXXFWEUQUFE-HTQZYQBOSA-N -1 1 224.231 2.344 20 0 BEADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccsc1 ZINC000812790675 586584795 /nfs/dbraw/zinc/58/47/95/586584795.db2.gz CVGPCFUJDXVAPB-QMMMGPOBSA-N -1 1 225.313 2.452 20 0 BEADMM COc1cccc([C@@H](C)C(=O)[N-]OC2CCC2)c1 ZINC000812789914 586584890 /nfs/dbraw/zinc/58/48/90/586584890.db2.gz PKPYADIBEMDBFV-SNVBAGLBSA-N -1 1 249.310 2.399 20 0 BEADMM COc1cccc([C@@H](C)C(=O)[N-]OCC2CC2)c1 ZINC000817333987 586796228 /nfs/dbraw/zinc/79/62/28/586796228.db2.gz AASFXOHPJHTVDX-SNVBAGLBSA-N -1 1 249.310 2.257 20 0 BEADMM Cc1cc(CN(CC(=O)[O-])C(C)C)c(C)o1 ZINC000820976374 587085347 /nfs/dbraw/zinc/08/53/47/587085347.db2.gz CZZAQBPBDODXLP-UHFFFAOYSA-N -1 1 225.288 2.191 20 0 BEADMM COc1cnc(C=Cc2cccc(O)c2)[n-]c1=O ZINC000821009001 587087822 /nfs/dbraw/zinc/08/78/22/587087822.db2.gz VREHWMJHUJKGAR-WAYWQWQTSA-N -1 1 244.250 2.067 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCC1)c1cccc(O)c1 ZINC000821221669 587102492 /nfs/dbraw/zinc/10/24/92/587102492.db2.gz LHYVUBDUUIHWQB-SECBINFHSA-N -1 1 235.283 2.096 20 0 BEADMM CC(C)[C@@H](CCN(C)C/C=C\Cl)NC(=O)[O-] ZINC000824098682 587255571 /nfs/dbraw/zinc/25/55/71/587255571.db2.gz KXDNTTOFCDDGID-AYYIZTPMSA-N -1 1 248.754 2.353 20 0 BEADMM CC[C@@H](C)CSc1cccc(-c2nnn[n-]2)n1 ZINC000825068512 587302074 /nfs/dbraw/zinc/30/20/74/587302074.db2.gz SNHADWKLIQZVKG-MRVPVSSYSA-N -1 1 249.343 2.400 20 0 BEADMM CC[C@@H](C)CSc1cccc(-c2nn[n-]n2)n1 ZINC000825068512 587302076 /nfs/dbraw/zinc/30/20/76/587302076.db2.gz SNHADWKLIQZVKG-MRVPVSSYSA-N -1 1 249.343 2.400 20 0 BEADMM CCc1ccc([C@H](C)NCCN(C)C(=O)[O-])o1 ZINC000827576123 587389496 /nfs/dbraw/zinc/38/94/96/587389496.db2.gz BOAYUXGCMZCRJF-VIFPVBQESA-N -1 1 240.303 2.102 20 0 BEADMM CCc1ccc([C@@H](C)NCCN(C)C(=O)[O-])o1 ZINC000827576121 587389620 /nfs/dbraw/zinc/38/96/20/587389620.db2.gz BOAYUXGCMZCRJF-SECBINFHSA-N -1 1 240.303 2.102 20 0 BEADMM CCC(N)=NOCc1cc(C(=O)[O-])sc1C ZINC000828901594 587470385 /nfs/dbraw/zinc/47/03/85/587470385.db2.gz XRJPBCXRZGHOQM-UHFFFAOYSA-N -1 1 242.300 2.163 20 0 BEADMM CC[C@H](C)N(OC)C(=O)c1cc(F)ccc1[O-] ZINC000830474504 587553406 /nfs/dbraw/zinc/55/34/06/587553406.db2.gz MFJQGXDTPQRMPD-QMMMGPOBSA-N -1 1 241.262 2.333 20 0 BEADMM Cc1cccc(NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830521007 587555394 /nfs/dbraw/zinc/55/53/94/587555394.db2.gz ANOSDVCCPZYSED-NSHDSACASA-N -1 1 249.314 2.192 20 0 BEADMM Cc1cccc([C@H](C)N2CCN(C(=O)[O-])CC2)c1 ZINC000832965839 587696088 /nfs/dbraw/zinc/69/60/88/587696088.db2.gz GFLVFIXKTQWIIM-LBPRGKRZSA-N -1 1 248.326 2.352 20 0 BEADMM C/C(=C\CN1CCc2ccc(F)cc2C1)C(=O)[O-] ZINC000833381928 587711649 /nfs/dbraw/zinc/71/16/49/587711649.db2.gz FTMYDURGAWQNHC-ONNFQVAWSA-N -1 1 249.285 2.215 20 0 BEADMM C/C(=C/CN(Cc1ccncc1)C1CC1)C(=O)[O-] ZINC000833382105 587711804 /nfs/dbraw/zinc/71/18/04/587711804.db2.gz GXNGGDOXBKZAET-WDZFZDKYSA-N -1 1 246.310 2.077 20 0 BEADMM C/C(=C\CN(Cc1ccncc1)C1CC1)C(=O)[O-] ZINC000833382103 587711970 /nfs/dbraw/zinc/71/19/70/587711970.db2.gz GXNGGDOXBKZAET-IZZDOVSWSA-N -1 1 246.310 2.077 20 0 BEADMM CC(C)(C)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000833425869 587714516 /nfs/dbraw/zinc/71/45/16/587714516.db2.gz YVPFSDMOXWSKSV-JTQLQIEISA-N -1 1 225.288 2.259 20 0 BEADMM C[C@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833543 587768209 /nfs/dbraw/zinc/76/82/09/587768209.db2.gz CBNYDBAPRUSJIE-IONNQARKSA-N -1 1 239.702 2.318 20 0 BEADMM CCc1cnc(CO[N-]C(=O)CC(C)(C)C)o1 ZINC000842064105 587994695 /nfs/dbraw/zinc/99/46/95/587994695.db2.gz YTBMEBFYKGUNRZ-UHFFFAOYSA-N -1 1 240.303 2.221 20 0 BEADMM O=C(Nc1ccc([O-])c(F)c1F)C1(F)CC1 ZINC000843900951 588149250 /nfs/dbraw/zinc/14/92/50/588149250.db2.gz JQHUADYZUVEBFA-UHFFFAOYSA-N -1 1 231.173 2.111 20 0 BEADMM CCCO[N-]C(=O)Cc1ccc(C)s1 ZINC000844082794 588162138 /nfs/dbraw/zinc/16/21/38/588162138.db2.gz HKGTWZIEBWXMAV-UHFFFAOYSA-N -1 1 213.302 2.057 20 0 BEADMM CC[C@H](C(=O)[O-])N(C)Cc1cccnc1Cl ZINC000844839168 588218369 /nfs/dbraw/zinc/21/83/69/588218369.db2.gz JKCJHQFMZLEXKF-SECBINFHSA-N -1 1 242.706 2.030 20 0 BEADMM CC(C)(C)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000848313556 588372148 /nfs/dbraw/zinc/37/21/48/588372148.db2.gz VUJKFWXHNMPMOI-LJGSYFOKSA-N -1 1 239.237 2.011 20 0 BEADMM COC[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)F ZINC000848313470 588372159 /nfs/dbraw/zinc/37/21/59/588372159.db2.gz UTIDUJUAMKQAHZ-SSDOTTSWSA-N -1 1 241.253 2.116 20 0 BEADMM Cc1nc(S[C@@H]2CCSC2)[n-]c(=O)c1C ZINC000849890949 588507898 /nfs/dbraw/zinc/50/78/98/588507898.db2.gz NNDDVDWBFKORIM-MRVPVSSYSA-N -1 1 242.369 2.397 20 0 BEADMM O=C(/C=C\C1CC1)Nc1cccc(F)c1[O-] ZINC000863010710 589252115 /nfs/dbraw/zinc/25/21/15/589252115.db2.gz YPJMUQNNNHSAEH-SREVYHEPSA-N -1 1 221.231 2.436 20 0 BEADMM CC(C)OCCC(=O)Nc1cccc(F)c1[O-] ZINC000863010617 589252325 /nfs/dbraw/zinc/25/23/25/589252325.db2.gz WKEBOUGSMOABKR-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM CS[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000864092265 589343991 /nfs/dbraw/zinc/34/39/91/589343991.db2.gz YJHFCLDFLGLBEF-IZLXSQMJSA-N -1 1 245.735 2.142 20 0 BEADMM COC(=O)c1c[n-]c(SC2CC(C)(C)C2)n1 ZINC000865363067 589426052 /nfs/dbraw/zinc/42/60/52/589426052.db2.gz IGORLCXFIKYNIC-UHFFFAOYSA-N -1 1 240.328 2.477 20 0 BEADMM COC(C)(C)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000866131251 589477734 /nfs/dbraw/zinc/47/77/34/589477734.db2.gz BQYSIVWMPJLOQE-UHFFFAOYSA-N -1 1 245.710 2.063 20 0 BEADMM CC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(C)=O ZINC000871665345 589785089 /nfs/dbraw/zinc/78/50/89/589785089.db2.gz HOBGBROCJSLPFI-VIFPVBQESA-N -1 1 240.328 2.259 20 0 BEADMM CCc1[n-]n(-c2cccc(Cl)n2)c(=O)c1F ZINC000871950451 589836239 /nfs/dbraw/zinc/83/62/39/589836239.db2.gz FNHKCIZNBLGABI-VIFPVBQESA-N -1 1 241.653 2.186 20 0 BEADMM CCc1[n-]n(-c2ccccc2)c(=O)c1F ZINC000871941152 589836275 /nfs/dbraw/zinc/83/62/75/589836275.db2.gz WSIXCDGZPPLEMO-JTQLQIEISA-N -1 1 206.220 2.137 20 0 BEADMM CCc1[n-]n(Cc2cccc(F)c2)c(=O)c1F ZINC000871945407 589838693 /nfs/dbraw/zinc/83/86/93/589838693.db2.gz OPQIUXZNNHIPER-NSHDSACASA-N -1 1 238.237 2.272 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953427 589841788 /nfs/dbraw/zinc/84/17/88/589841788.db2.gz PLSBCKPZEBINFC-WRWORJQWSA-N -1 1 249.701 2.484 20 0 BEADMM Cc1[n-]n(-c2ncccc2C)c(=O)c1C1CC1 ZINC000871954636 589842179 /nfs/dbraw/zinc/84/21/79/589842179.db2.gz BADDTJXECJHDNZ-LLVKDONJSA-N -1 1 229.283 2.139 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953713 589842229 /nfs/dbraw/zinc/84/22/29/589842229.db2.gz ASLRGOKAERDAEI-WRWORJQWSA-N -1 1 249.701 2.484 20 0 BEADMM Cc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1C1CC1 ZINC000871955137 589842659 /nfs/dbraw/zinc/84/26/59/589842659.db2.gz WLDIVTBOFYFDRK-LLVKDONJSA-N -1 1 249.701 2.484 20 0 BEADMM COC[C@@H](C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871955837 589843553 /nfs/dbraw/zinc/84/35/53/589843553.db2.gz ZFWZVYVCGBAYPP-NXEZZACHSA-N -1 1 238.331 2.046 20 0 BEADMM CCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1F ZINC000871958723 589844077 /nfs/dbraw/zinc/84/40/77/589844077.db2.gz FPAMFTHFQDMQGF-GZMMTYOYSA-N -1 1 235.262 2.089 20 0 BEADMM CCc1[n-]n([C@H](C)c2ccncc2)c(=O)c1F ZINC000871958726 589844280 /nfs/dbraw/zinc/84/42/80/589844280.db2.gz FPAMFTHFQDMQGF-LDYMZIIASA-N -1 1 235.262 2.089 20 0 BEADMM CC[C@H](OC(=O)c1ccc([O-])cc1F)C(C)=O ZINC000873376203 590033719 /nfs/dbraw/zinc/03/37/19/590033719.db2.gz VPWSRXASDAKIQO-NSHDSACASA-N -1 1 240.230 2.056 20 0 BEADMM CC[C@@H]1C[C@H]1C(=O)[N-]Oc1ccccc1F ZINC000874910889 590154682 /nfs/dbraw/zinc/15/46/82/590154682.db2.gz JXOUXKUVRJNYSJ-RKDXNWHRSA-N -1 1 223.247 2.282 20 0 BEADMM O=C(NC[C@H]1C=CCC1)c1ccc([O-])c(F)c1 ZINC000881497223 591219500 /nfs/dbraw/zinc/21/95/00/591219500.db2.gz WGTNHNLJUCYYBX-VIFPVBQESA-N -1 1 235.258 2.227 20 0 BEADMM CCc1c(C)[n-]n(-c2cccnc2Cl)c1=O ZINC000129806123 591410195 /nfs/dbraw/zinc/41/01/95/591410195.db2.gz OVVGPTGINQVDMB-QMMMGPOBSA-N -1 1 237.690 2.484 20 0 BEADMM CCCCCC(=O)[N-]OCC(F)(F)F ZINC000135209654 591997374 /nfs/dbraw/zinc/99/73/74/591997374.db2.gz OZAVDXJULKUCTF-UHFFFAOYSA-N -1 1 213.199 2.177 20 0 BEADMM O=c1c2c([n-]n1C1CCSCC1)CCCC2 ZINC000887292689 592477216 /nfs/dbraw/zinc/47/72/16/592477216.db2.gz AOIKTZYGJFOAPX-JTQLQIEISA-N -1 1 238.356 2.270 20 0 BEADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc([O-])cc1F ZINC000889598350 592625595 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/nfs/dbraw/zinc/23/50/43/975235043.db2.gz GKTIMZACTOFTPA-KYZUINATSA-N -1 1 208.261 2.140 20 0 BEADMM O=c1[n-]cncc1O[C@@H]1CCOc2ccccc21 ZINC001227050091 975237494 /nfs/dbraw/zinc/23/74/94/975237494.db2.gz ZVRVVZHFEGGYIY-LLVKDONJSA-N -1 1 244.250 2.085 20 0 BEADMM C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)C1=CC=C[CH]1 ZINC001227810846 975715423 /nfs/dbraw/zinc/71/54/23/975715423.db2.gz YGPDAZQFEDSNQT-MRVPVSSYSA-N -1 1 242.258 2.131 20 0 BEADMM Cc1cnc(NC(=O)c2ccc(C)cc2[O-])o1 ZINC001333507838 975822145 /nfs/dbraw/zinc/82/21/45/975822145.db2.gz LLTXRCNVSRPMCL-UHFFFAOYSA-N -1 1 232.239 2.249 20 0 BEADMM CSc1nc(OC2CCCC2)cc(=O)[n-]1 ZINC001228089103 975896391 /nfs/dbraw/zinc/89/63/91/975896391.db2.gz BPULERTZTKTUNI-UHFFFAOYSA-N -1 1 226.301 2.226 20 0 BEADMM CCC[C@H](C)Oc1cc(=O)[n-]c(SC)n1 ZINC001228091433 975904273 /nfs/dbraw/zinc/90/42/73/975904273.db2.gz ZAZIQVOJKRLZKZ-ZETCQYMHSA-N -1 1 228.317 2.472 20 0 BEADMM Cc1nonc1[N-]c1cccc(CO)c1Cl ZINC001212760308 976127398 /nfs/dbraw/zinc/12/73/98/976127398.db2.gz BOPJTUZMMZINLY-UHFFFAOYSA-N -1 1 239.662 2.267 20 0 BEADMM Cc1nocc1[N-]C(=O)c1cnoc1C1CC1 ZINC001334164815 976344422 /nfs/dbraw/zinc/34/44/22/976344422.db2.gz UDICCFFFCRCISM-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM C[C@@H]1CCC[C@@H](C)C1Oc1cnnc(=S)[n-]1 ZINC001228641484 976398027 /nfs/dbraw/zinc/39/80/27/976398027.db2.gz FLKVGECRIYIAHS-HTQZYQBOSA-N -1 1 239.344 2.364 20 0 BEADMM Cc1coc([N-]c2c(C)nn(C)c2C)n1 ZINC001174224542 976420549 /nfs/dbraw/zinc/42/05/49/976420549.db2.gz ZJZQTKNPGJOIAA-UHFFFAOYSA-N -1 1 206.249 2.077 20 0 BEADMM CCOC(=O)c1cc(-c2nc(C)cs2)[n-]n1 ZINC000259658655 976587851 /nfs/dbraw/zinc/58/78/51/976587851.db2.gz JRAFTXQFJVRSJP-UHFFFAOYSA-N -1 1 237.284 2.018 20 0 BEADMM [O-]c1cc(Nc2cncnc2)cc(F)c1F ZINC001174385979 976629588 /nfs/dbraw/zinc/62/95/88/976629588.db2.gz FUFFXQQUMOFUIT-UHFFFAOYSA-N -1 1 223.182 2.204 20 0 BEADMM CC(C)Cc1ccc(COCc2nn[n-]n2)cc1 ZINC001334806882 976695463 /nfs/dbraw/zinc/69/54/63/976695463.db2.gz UVZUHTJZSRJVOA-UHFFFAOYSA-N -1 1 246.314 2.115 20 0 BEADMM O=C([O-])[C@@H](F)CNCc1cccc(C2CC2)c1 ZINC001334844251 976743338 /nfs/dbraw/zinc/74/33/38/976743338.db2.gz JZTGCVYFLABJPU-LBPRGKRZSA-N -1 1 237.274 2.076 20 0 BEADMM Cc1n[nH]cc1Nc1ccnc(Cl)c1[O-] ZINC001174472777 976779684 /nfs/dbraw/zinc/77/96/84/976779684.db2.gz AEFPXKWYKJBJKR-UHFFFAOYSA-N -1 1 224.651 2.216 20 0 BEADMM COc1c(O[C@@H]2CC[C@H](C)C2)nc(C)[n-]c1=O ZINC001230020547 977075599 /nfs/dbraw/zinc/07/55/99/977075599.db2.gz DFCXFBWFANCBJT-IONNQARKSA-N -1 1 238.287 2.067 20 0 BEADMM CCCC[C@@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230022423 977079490 /nfs/dbraw/zinc/07/94/90/977079490.db2.gz UHKXIPGVMCNDCC-MRVPVSSYSA-N -1 1 240.303 2.457 20 0 BEADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)n(C)n1 ZINC001174824369 977084134 /nfs/dbraw/zinc/08/41/34/977084134.db2.gz OGNCWFSHJYEIEL-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM CC[C@H](Oc1nc(C)[n-]c(=O)c1OC)C(C)C ZINC001230026997 977088968 /nfs/dbraw/zinc/08/89/68/977088968.db2.gz UFZXMCMUYBWPMX-VIFPVBQESA-N -1 1 240.303 2.313 20 0 BEADMM CCC[C@@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230282401 977159097 /nfs/dbraw/zinc/15/90/97/977159097.db2.gz UQOBKZKBVWUQAL-SNVBAGLBSA-N -1 1 240.303 2.400 20 0 BEADMM Fc1cnccc1[N-]c1nnc(-c2ccco2)o1 ZINC001175197038 977294034 /nfs/dbraw/zinc/29/40/34/977294034.db2.gz KBPVGXDLYFDOFV-UHFFFAOYSA-N -1 1 246.201 2.029 20 0 BEADMM Cc1nsc([N-]c2cccc3cn(C)nc32)n1 ZINC001175456381 977471544 /nfs/dbraw/zinc/47/15/44/977471544.db2.gz YQSMIZCCDGNZJX-UHFFFAOYSA-N -1 1 245.311 2.477 20 0 BEADMM C[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)CCO1 ZINC001231732805 977706157 /nfs/dbraw/zinc/70/61/57/977706157.db2.gz GMJVQSMZOPGTAB-SECBINFHSA-N -1 1 241.718 2.266 20 0 BEADMM CCc1nnc([N-]c2ccc(F)cn2)s1 ZINC001175846864 977761713 /nfs/dbraw/zinc/76/17/13/977761713.db2.gz VOHTWXWZKPEAFZ-UHFFFAOYSA-N -1 1 224.264 2.378 20 0 BEADMM [O-]c1cc(F)cnc1Nc1ccc(F)cn1 ZINC001175848163 977765709 /nfs/dbraw/zinc/76/57/09/977765709.db2.gz BIYNQTZVRNASLS-UHFFFAOYSA-N -1 1 223.182 2.204 20 0 BEADMM [O-]c1c(F)cc(F)c(Nc2ccncn2)c1F ZINC001176663461 978149744 /nfs/dbraw/zinc/14/97/44/978149744.db2.gz FMGTYSHRSJEUNG-UHFFFAOYSA-N -1 1 241.172 2.343 20 0 BEADMM Nc1nonc1[N-]c1cccc(C2CC2)c1 ZINC001176724608 978160134 /nfs/dbraw/zinc/16/01/34/978160134.db2.gz KZRCUFIZEQJARW-UHFFFAOYSA-N -1 1 216.244 2.273 20 0 BEADMM CC1CN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232931094 978343260 /nfs/dbraw/zinc/34/32/60/978343260.db2.gz IUQASXGJQTULCZ-UHFFFAOYSA-N -1 1 213.227 2.122 20 0 BEADMM Cc1cc(CN2CCC2(C)C)[nH]c1C(=O)[O-] ZINC001600193666 978674815 /nfs/dbraw/zinc/67/48/15/978674815.db2.gz WMCZMRHLRLKKNG-UHFFFAOYSA-N -1 1 222.288 2.006 20 0 BEADMM CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179655090 978736136 /nfs/dbraw/zinc/73/61/36/978736136.db2.gz CUVWKQNMAWIVDJ-UHFFFAOYSA-N -1 1 203.600 2.143 20 0 BEADMM Cc1cnc(CN[C@@H](C)CCCCC(=O)[O-])o1 ZINC001339223715 978820083 /nfs/dbraw/zinc/82/00/83/978820083.db2.gz LOAXZGLHACAXCT-VIFPVBQESA-N -1 1 240.303 2.106 20 0 BEADMM O=C([O-])[C@H](NC/C=C\Cl)c1ccccc1F ZINC001601671550 978829386 /nfs/dbraw/zinc/82/93/86/978829386.db2.gz LBNPPHNYWVEHEU-XICOKMJESA-N -1 1 243.665 2.294 20 0 BEADMM O=C([O-])CC1(NCc2c(F)cccc2F)CC1 ZINC001601936044 978868628 /nfs/dbraw/zinc/86/86/28/978868628.db2.gz GNBKYYDMUCYJGT-UHFFFAOYSA-N -1 1 241.237 2.062 20 0 BEADMM O=C([O-])c1csc(CN2CC3(CCC3)C2)c1 ZINC001602560107 979132006 /nfs/dbraw/zinc/13/20/06/979132006.db2.gz FAXPJZLCUOHRPC-UHFFFAOYSA-N -1 1 237.324 2.432 20 0 BEADMM O=C([O-])c1sccc1CN1CC2(CC2)C1 ZINC001602595692 979136102 /nfs/dbraw/zinc/13/61/02/979136102.db2.gz TWUQNJZWXZPDAZ-UHFFFAOYSA-N -1 1 223.297 2.042 20 0 BEADMM C/C(=C\C(=O)[O-])CN1CCc2c(F)cccc2C1 ZINC001602958801 979342747 /nfs/dbraw/zinc/34/27/47/979342747.db2.gz YXIPQKKIFGCBQS-JXMROGBWSA-N -1 1 249.285 2.215 20 0 BEADMM CC(C)C(N)=NOCc1cccc(C(=O)[O-])c1 ZINC001602992570 979358691 /nfs/dbraw/zinc/35/86/91/979358691.db2.gz KJRVCVDUXIKQJI-UHFFFAOYSA-N -1 1 236.271 2.039 20 0 BEADMM Cc1ccc(F)c(-c2ncccc2N)c1[O-] ZINC001236390860 979575291 /nfs/dbraw/zinc/57/52/91/979575291.db2.gz GPIFNEYFNWNFJK-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM Cc1ccc(F)c(-c2ncnc3c2COC3)c1[O-] ZINC001236394129 979578291 /nfs/dbraw/zinc/57/82/91/979578291.db2.gz WQKLUJJROMWOCN-UHFFFAOYSA-N -1 1 246.241 2.327 20 0 BEADMM CCCCCNc1nc(-c2nn[n-]n2)ccc1C ZINC001604180661 979595677 /nfs/dbraw/zinc/59/56/77/979595677.db2.gz XOBJUHFVQBLWHI-UHFFFAOYSA-N -1 1 246.318 2.172 20 0 BEADMM C[C@H](N[C@@H]1CCC1(C)C)c1nc(C(=O)[O-])co1 ZINC001604330306 979618838 /nfs/dbraw/zinc/61/88/38/979618838.db2.gz OMRHEHCKKPPUCF-IONNQARKSA-N -1 1 238.287 2.212 20 0 BEADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCCCCC1 ZINC001604477446 979662270 /nfs/dbraw/zinc/66/22/70/979662270.db2.gz NAWFZCJWBFQLQY-VIFPVBQESA-N -1 1 238.287 2.310 20 0 BEADMM CC[C@@H]1CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC001605171641 979830707 /nfs/dbraw/zinc/83/07/07/979830707.db2.gz NUKXLPAQDRETNI-SECBINFHSA-N -1 1 223.272 2.271 20 0 BEADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001183562658 979844687 /nfs/dbraw/zinc/84/46/87/979844687.db2.gz MLMDNWOSYNYNLI-IUCAKERBSA-N -1 1 237.303 2.270 20 0 BEADMM Cc1cc(CN2CC[C@@H](F)C2)ccc1C(=O)[O-] ZINC001607642153 980120566 /nfs/dbraw/zinc/12/05/66/980120566.db2.gz ZFEIOWAVASAPER-LLVKDONJSA-N -1 1 237.274 2.237 20 0 BEADMM C(=Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001239593724 980790482 /nfs/dbraw/zinc/79/04/82/980790482.db2.gz IMGPFKXOZMBUSP-VOTSOKGWSA-N -1 1 249.277 2.432 20 0 BEADMM C(=Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001239593724 980790486 /nfs/dbraw/zinc/79/04/86/980790486.db2.gz IMGPFKXOZMBUSP-VOTSOKGWSA-N -1 1 249.277 2.432 20 0 BEADMM Cc1nnc(Cc2c(Cl)ccc([O-])c2F)o1 ZINC001250338238 980809632 /nfs/dbraw/zinc/80/96/32/980809632.db2.gz QRJMCPBCGABVCR-UHFFFAOYSA-N -1 1 242.637 2.467 20 0 BEADMM Cc1ccnc(-c2cccc([O-])c2F)n1 ZINC001250455717 981130390 /nfs/dbraw/zinc/13/03/90/981130390.db2.gz NKNGZMOVXXEMPE-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM COc1cccc([C@@H](C)C(=O)[N-]OC(C)C)c1 ZINC001347998639 981238582 /nfs/dbraw/zinc/23/85/82/981238582.db2.gz QRYPTZKNQJQPBH-SNVBAGLBSA-N -1 1 237.299 2.255 20 0 BEADMM COCCOC(=O)Nc1c([O-])cccc1Cl ZINC001193411737 981322950 /nfs/dbraw/zinc/32/29/50/981322950.db2.gz XVFWIRZOHOQEQG-UHFFFAOYSA-N -1 1 245.662 2.241 20 0 BEADMM Cc1sccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001240502844 981431031 /nfs/dbraw/zinc/43/10/31/981431031.db2.gz WYYROVDSVHLCAU-UHFFFAOYSA-N -1 1 243.295 2.299 20 0 BEADMM Cc1sccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001240502844 981431038 /nfs/dbraw/zinc/43/10/38/981431038.db2.gz WYYROVDSVHLCAU-UHFFFAOYSA-N -1 1 243.295 2.299 20 0 BEADMM COC(=O)Nc1cccc([O-])c1Br ZINC001193916175 981516161 /nfs/dbraw/zinc/51/61/61/981516161.db2.gz HBFFRCBQMWIBSU-UHFFFAOYSA-N -1 1 246.060 2.333 20 0 BEADMM [O-]c1ccc(F)cc1-c1ccc(F)nn1 ZINC001240694181 981582491 /nfs/dbraw/zinc/58/24/91/981582491.db2.gz PNPRVLSNFRNFKZ-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM CCN(C)c1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240694276 981598838 /nfs/dbraw/zinc/59/88/38/981598838.db2.gz UNTHDDKGSJFLTL-UHFFFAOYSA-N -1 1 247.273 2.444 20 0 BEADMM [O-]c1ccc(F)cc1-c1cc2[nH]cnc2cn1 ZINC001240693703 981600360 /nfs/dbraw/zinc/60/03/60/981600360.db2.gz VVYKTYOCGIZKHJ-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM NC(=S)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240693606 981601286 /nfs/dbraw/zinc/60/12/86/981601286.db2.gz HBWDJSCSLRPGOM-UHFFFAOYSA-N -1 1 248.282 2.228 20 0 BEADMM Cc1ccnnc1-c1cc(F)ccc1[O-] ZINC001240693688 981602892 /nfs/dbraw/zinc/60/28/92/981602892.db2.gz VNOCHUFHEKPKNW-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CC(C)(C)COC(=O)Nc1ncccc1[O-] ZINC001194353424 981722235 /nfs/dbraw/zinc/72/22/35/981722235.db2.gz DYXJPZASTHYDNX-UHFFFAOYSA-N -1 1 224.260 2.382 20 0 BEADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]2C[C@@H]21 ZINC001583296980 981809366 /nfs/dbraw/zinc/80/93/66/981809366.db2.gz HQODBKSSSUCXIA-SCZZXKLOSA-N -1 1 235.258 2.156 20 0 BEADMM [O-]c1ccc(-c2ccc(F)nn2)cc1F ZINC001240782228 981818243 /nfs/dbraw/zinc/81/82/43/981818243.db2.gz VGAQSGLYLHBDDV-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM Cc1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240782994 981822019 /nfs/dbraw/zinc/82/20/19/981822019.db2.gz LCMIMMGXIAEZOJ-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CCOc1cnc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783180 981822915 /nfs/dbraw/zinc/82/29/15/981822915.db2.gz NQZCKILJDNJFON-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM O=C(NCC1=CCCC1)c1ccc(F)c([O-])c1 ZINC001585051571 981902732 /nfs/dbraw/zinc/90/27/32/981902732.db2.gz PGIXUAZNQPCUAU-UHFFFAOYSA-N -1 1 235.258 2.371 20 0 BEADMM O=C(c1cccc([O-])c1F)N1CC[C@H]2C[C@H]2C1 ZINC001585406094 981922033 /nfs/dbraw/zinc/92/20/33/981922033.db2.gz SLKWPSAEOZBLEF-IUCAKERBSA-N -1 1 235.258 2.013 20 0 BEADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001586480850 981997192 /nfs/dbraw/zinc/99/71/92/981997192.db2.gz OKIVRIOETPCKFS-WDEREUQCSA-N -1 1 248.326 2.486 20 0 BEADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([O-])cn1 ZINC001586816742 982026234 /nfs/dbraw/zinc/02/62/34/982026234.db2.gz ODTZSQKHKZVZAS-UWVGGRQHSA-N -1 1 236.315 2.342 20 0 BEADMM CCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001587243672 982062411 /nfs/dbraw/zinc/06/24/11/982062411.db2.gz UPVDWMCZOCFQDF-UHFFFAOYSA-N -1 1 245.278 2.391 20 0 BEADMM COc1cnc(-c2ccc(C)cc2[O-])nc1C ZINC001241027628 982121453 /nfs/dbraw/zinc/12/14/53/982121453.db2.gz BZXGUCWZQMLLRA-UHFFFAOYSA-N -1 1 230.267 2.475 20 0 BEADMM CNc1ccnc(-c2ccc(C)cc2[O-])n1 ZINC001241030798 982128776 /nfs/dbraw/zinc/12/87/76/982128776.db2.gz UDXPAJCLWPFUKE-UHFFFAOYSA-N -1 1 215.256 2.199 20 0 BEADMM Nc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117696 982233652 /nfs/dbraw/zinc/23/36/52/982233652.db2.gz VVTRWXDCZKKUSV-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM COc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117851 982233815 /nfs/dbraw/zinc/23/38/15/982233815.db2.gz ZYPVMASCVILVSB-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Nc1cccnc1-c1c(F)cc([O-])cc1F ZINC001241116925 982235531 /nfs/dbraw/zinc/23/55/31/982235531.db2.gz HWKVLKQUXONERR-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM [O-]c1cc(F)c(-c2cccnn2)c(F)c1 ZINC001241117859 982237530 /nfs/dbraw/zinc/23/75/30/982237530.db2.gz USYIECAUQBAJEL-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM [O-]c1cc(F)c(-c2ccc3ncnn3c2)c(F)c1 ZINC001241119403 982241655 /nfs/dbraw/zinc/24/16/55/982241655.db2.gz MBWHDQRDYHEBBO-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM NC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120739 982244133 /nfs/dbraw/zinc/24/41/33/982244133.db2.gz JAOSKQMPXUAAOT-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM Cn1c(=O)cccc1-c1c(F)cc([O-])cc1F ZINC001241123230 982249270 /nfs/dbraw/zinc/24/92/70/982249270.db2.gz WQLPMBZNVYYJDZ-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM CCOC(=O)NC(=S)[N-]c1cccc(F)c1 ZINC001195449279 982252774 /nfs/dbraw/zinc/25/27/74/982252774.db2.gz NWRNKFFVMNJNGF-UHFFFAOYSA-N -1 1 242.275 2.269 20 0 BEADMM CCOc1cnc(-c2cc([O-])cc(F)c2)nc1 ZINC001241255797 982392618 /nfs/dbraw/zinc/39/26/18/982392618.db2.gz DQUKZWBFJQYFIJ-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCC3)S1 ZINC001352272298 982503596 /nfs/dbraw/zinc/50/35/96/982503596.db2.gz NWGZHFVTPTWXNA-XFFZJAGNSA-N -1 1 245.303 2.499 20 0 BEADMM O=C([O-])c1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001241357680 982514612 /nfs/dbraw/zinc/51/46/12/982514612.db2.gz XRZXPBVZZSLJHY-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM CCCN(C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595837100 982746858 /nfs/dbraw/zinc/74/68/58/982746858.db2.gz URRRQHKSRPFCHQ-SSDOTTSWSA-N -1 1 228.317 2.244 20 0 BEADMM CC(C)=CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001589375356 982750500 /nfs/dbraw/zinc/75/05/00/982750500.db2.gz BPIRVKZMRLLRHD-UHFFFAOYSA-N -1 1 244.302 2.030 20 0 BEADMM CC(C)=CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001589375356 982750509 /nfs/dbraw/zinc/75/05/09/982750509.db2.gz BPIRVKZMRLLRHD-UHFFFAOYSA-N -1 1 244.302 2.030 20 0 BEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001591729862 983085242 /nfs/dbraw/zinc/08/52/42/983085242.db2.gz JCEGCMMYNUPFSR-MRVPVSSYSA-N -1 1 246.318 2.108 20 0 BEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591729862 983085253 /nfs/dbraw/zinc/08/52/53/983085253.db2.gz JCEGCMMYNUPFSR-MRVPVSSYSA-N -1 1 246.318 2.108 20 0 BEADMM [O-]c1cc(NC(=S)NC2CC2)c(F)cc1F ZINC001200631777 983282583 /nfs/dbraw/zinc/28/25/83/983282583.db2.gz PJTWAMIXEPTZIT-UHFFFAOYSA-N -1 1 244.266 2.119 20 0 BEADMM Cc1nonc1[N-]c1cncc(OC(C)C)c1 ZINC001201539799 983300329 /nfs/dbraw/zinc/30/03/29/983300329.db2.gz KGOLMPOKJZUXEL-UHFFFAOYSA-N -1 1 234.259 2.304 20 0 BEADMM CC[C@H](N[C@H](C)c1cc(C)c(C)o1)C(=O)[O-] ZINC001593623155 983321881 /nfs/dbraw/zinc/32/18/81/983321881.db2.gz OLDSHHSHUJGUMF-SCZZXKLOSA-N -1 1 225.288 2.410 20 0 BEADMM CC(C)NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001200776376 983353966 /nfs/dbraw/zinc/35/39/66/983353966.db2.gz JCEFXVYXXSXSRT-UHFFFAOYSA-N -1 1 245.735 2.135 20 0 BEADMM Cc1nc(-c2ccc(F)cc2[O-])nc2nc[nH]c21 ZINC001242215805 983411369 /nfs/dbraw/zinc/41/13/69/983411369.db2.gz HGIGLUIGOCTGML-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM NC(=O)c1ccc(F)cc1-c1ccc(F)cc1[O-] ZINC001242219320 983421097 /nfs/dbraw/zinc/42/10/97/983421097.db2.gz CYFRJZWETSVZSX-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM O=C(N[C@H]1C[C@H]1C1CC1)c1ccc([O-])cc1F ZINC000717039555 983484488 /nfs/dbraw/zinc/48/44/88/983484488.db2.gz PXLYDJWLBZPVEI-JQWIXIFHSA-N -1 1 235.258 2.060 20 0 BEADMM O=c1cc2[nH]c(-c3cccc(F)c3[O-])ccc-2[nH]1 ZINC001242348068 983607616 /nfs/dbraw/zinc/60/76/16/983607616.db2.gz JJGFSECCGWNOSP-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM [O-]c1c(F)cccc1-c1c[nH]cc2ncnc1-2 ZINC001242351157 983621342 /nfs/dbraw/zinc/62/13/42/983621342.db2.gz FIZZLFSATWBPKF-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM Cc1ncc(-c2cccc(F)c2[O-])cn1 ZINC001242351335 983624625 /nfs/dbraw/zinc/62/46/25/983624625.db2.gz SEZFFGSCLHWPGJ-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CC(C)n1cc(-c2cccc(F)c2[O-])ncc1=O ZINC001242352919 983626641 /nfs/dbraw/zinc/62/66/41/983626641.db2.gz GOSQAOSEVPVVFH-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM CCN(Cc1ncc(C(=O)[O-])s1)CC1CC1 ZINC001596380438 983901490 /nfs/dbraw/zinc/90/14/90/983901490.db2.gz HTAVRRRMIGJCKK-UHFFFAOYSA-N -1 1 240.328 2.073 20 0 BEADMM CCNC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001202548023 983974803 /nfs/dbraw/zinc/97/48/03/983974803.db2.gz XPICDLMUWGKQNL-UHFFFAOYSA-N -1 1 232.642 2.326 20 0 BEADMM CCCNC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001202594980 984118042 /nfs/dbraw/zinc/11/80/42/984118042.db2.gz ZMWDXBWGEAWNRO-UHFFFAOYSA-N -1 1 230.214 2.202 20 0 BEADMM Clc1cccc(-c2noc(-c3cn[n-]n3)n2)c1 ZINC001212798981 984162168 /nfs/dbraw/zinc/16/21/68/984162168.db2.gz CNSBHKGXYFGNEY-UHFFFAOYSA-N -1 1 247.645 2.175 20 0 BEADMM CCN(C)c1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243050104 984400875 /nfs/dbraw/zinc/40/08/75/984400875.db2.gz LGNDXOOIFLSXIY-UHFFFAOYSA-N -1 1 247.273 2.444 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cn2)[C@@H]1C ZINC001440412028 984409797 /nfs/dbraw/zinc/40/97/97/984409797.db2.gz NLLZLEFNNUYIQW-FOGDFJRCSA-N -1 1 248.326 2.342 20 0 BEADMM CCCCC[C@H](C)NC(=O)c1ccc([O-])cn1 ZINC001441074944 984460080 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/nfs/dbraw/zinc/97/07/11/984970711.db2.gz DZSCMCSTWVNJOR-QMMMGPOBSA-N -1 1 241.237 2.105 20 0 BEADMM Cn1cccc(-c2cc(F)cc(F)c2[O-])c1=O ZINC001243505281 985058318 /nfs/dbraw/zinc/05/83/18/985058318.db2.gz PXTLQPODMKZNKR-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM COc1nc(-c2cccc([O-])c2F)ncc1F ZINC001243543920 985075118 /nfs/dbraw/zinc/07/51/18/985075118.db2.gz RKDQJUMMGHMKQY-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM [O-]c1cccc(-c2ncc3c(n2)CCCN3)c1F ZINC001243543933 985075612 /nfs/dbraw/zinc/07/56/12/985075612.db2.gz RXEZRWGHUNAJNJ-UHFFFAOYSA-N -1 1 245.257 2.346 20 0 BEADMM NC(=O)c1ccncc1-c1ccc(Cl)c([O-])c1 ZINC001243581315 985140537 /nfs/dbraw/zinc/14/05/37/985140537.db2.gz OJJYEHCAKUJUMP-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM C[C@@H]1CC[C@H](C(=O)Nc2c[n-][nH]c2=O)C[C@@H]1C ZINC001457820952 985239941 /nfs/dbraw/zinc/23/99/41/985239941.db2.gz HGOYXPAXCAQMPF-VGMNWLOBSA-N -1 1 237.303 2.126 20 0 BEADMM CC1(CC(=O)Nc2c[n-][nH]c2=O)CCCCC1 ZINC001457821155 985241588 /nfs/dbraw/zinc/24/15/88/985241588.db2.gz IEEZWFXJXRIWST-UHFFFAOYSA-N -1 1 237.303 2.414 20 0 BEADMM CO[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000690053702 985365697 /nfs/dbraw/zinc/36/56/97/985365697.db2.gz LOLJXDAHUTWYJS-GMSGAONNSA-N -1 1 241.674 2.019 20 0 BEADMM Cc1cc(-c2ccc(N)nn2)cc(Cl)c1[O-] ZINC001244537187 986231038 /nfs/dbraw/zinc/23/10/38/986231038.db2.gz XIKXDHJZYDHBRK-UHFFFAOYSA-N -1 1 235.674 2.393 20 0 BEADMM CCCNC(=S)Nc1cc(Cl)ncc1[O-] ZINC001244847791 986397239 /nfs/dbraw/zinc/39/72/39/986397239.db2.gz VRMYKKGFUXEBOP-UHFFFAOYSA-N -1 1 245.735 2.137 20 0 BEADMM C[C@H](C1CC1)N(C)C(=O)c1cccc([O-])c1F ZINC001463907674 986589127 /nfs/dbraw/zinc/58/91/27/986589127.db2.gz GLLNYCJWRLQTSA-MRVPVSSYSA-N -1 1 237.274 2.402 20 0 BEADMM CN(Cc1ccsc1)C(=O)c1ccc([O-])cn1 ZINC001463991905 986599011 /nfs/dbraw/zinc/59/90/11/986599011.db2.gz LWUITBMYFMPOKK-UHFFFAOYSA-N -1 1 248.307 2.121 20 0 BEADMM O=C(N[C@H]1CC=CCC1)c1cccc([O-])c1F ZINC001465270464 986701413 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/nfs/dbraw/zinc/08/36/87/987083687.db2.gz GMQAWQXGUGNCNO-UHFFFAOYSA-N -1 1 249.197 2.189 20 0 BEADMM Nc1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245829721 987093367 /nfs/dbraw/zinc/09/33/67/987093367.db2.gz AFIAHJCHARAHFM-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM CCc1cc(=O)n(-c2cc(OC)cc(OC)c2)[n-]1 ZINC001245916750 987143691 /nfs/dbraw/zinc/14/36/91/987143691.db2.gz AIDGLXUVQTZDBJ-UHFFFAOYSA-N -1 1 248.282 2.158 20 0 BEADMM CCCc1cc(=O)n(C(=S)NC(C)(C)C)[n-]1 ZINC001245924798 987175320 /nfs/dbraw/zinc/17/53/20/987175320.db2.gz MDKOKESYJCMFLS-UHFFFAOYSA-N -1 1 241.360 2.062 20 0 BEADMM CCCCc1cc(=O)n(-c2ccncc2)[n-]1 ZINC001245927125 987178039 /nfs/dbraw/zinc/17/80/39/987178039.db2.gz PYYBUAOJNOCHSQ-UHFFFAOYSA-N -1 1 217.272 2.316 20 0 BEADMM COc1ccc(C)cc1-n1[n-]c(C)cc1=O ZINC001245928420 987184937 /nfs/dbraw/zinc/18/49/37/987184937.db2.gz YSYOHSRVDNPOBI-UHFFFAOYSA-N -1 1 218.256 2.203 20 0 BEADMM O=c1cc(CC2CCC2)[n-]n1-c1ccncc1 ZINC001245936345 987199486 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586578115 /nfs/dbraw/zinc/57/81/15/586578115.db2.gz VALGFPHTTSLLKK-UHFFFAOYSA-N -1 1 237.303 2.123 20 0 BEADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812790961 586585190 /nfs/dbraw/zinc/58/51/90/586585190.db2.gz DDWKPHYIBBFMGE-JTQLQIEISA-N -1 1 219.284 2.390 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000816979313 586777723 /nfs/dbraw/zinc/77/77/23/586777723.db2.gz MCYBAQUQZMPGES-TUAOUCFPSA-N -1 1 243.347 2.286 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC12CC2 ZINC000817593967 586813324 /nfs/dbraw/zinc/81/33/24/586813324.db2.gz HATQJZJYNUKYIQ-LURJTMIESA-N -1 1 238.674 2.179 20 0 BEADMM CC(C)(C)C1CC([N-]C(=O)C(F)(F)F)C1 ZINC000818142010 586876650 /nfs/dbraw/zinc/87/66/50/586876650.db2.gz OLAFZZWFGRBWQV-UHFFFAOYSA-N -1 1 223.238 2.490 20 0 BEADMM Cc1cc(=O)[nH]c(C[N@H+]2CCCC3(CC3)CC2)n1 ZINC000860072741 589079514 /nfs/dbraw/zinc/07/95/14/589079514.db2.gz GIFGUWZVZIFVBG-UHFFFAOYSA-N -1 1 247.342 2.257 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1cccs1 ZINC000820402790 587046422 /nfs/dbraw/zinc/04/64/22/587046422.db2.gz NRGSJHRLMZDTJJ-SNAWJCMRSA-N -1 1 249.295 2.137 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000820407343 587046654 /nfs/dbraw/zinc/04/66/54/587046654.db2.gz ISODKVRJGUJSGC-LPEHRKFASA-N -1 1 249.314 2.189 20 0 BEADMM C[C@H](C(=O)[N-]OCCC1CC1)c1cccc(O)c1 ZINC000820484838 587051074 /nfs/dbraw/zinc/05/10/74/587051074.db2.gz OUVUKKCPDBPIKF-JTQLQIEISA-N -1 1 249.310 2.344 20 0 BEADMM O=C([O-])[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000821510314 587122121 /nfs/dbraw/zinc/12/21/21/587122121.db2.gz AISKHCJFPIGTDL-ZETCQYMHSA-N -1 1 245.731 2.308 20 0 BEADMM CC(C)(C(=O)[N-]O[C@@H]1CCCCO1)C1CCC1 ZINC000822925078 587193583 /nfs/dbraw/zinc/19/35/83/587193583.db2.gz WWGYSMQCLKKPRY-LLVKDONJSA-N -1 1 241.331 2.387 20 0 BEADMM CCC[C@@H](CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000823130409 587204455 /nfs/dbraw/zinc/20/44/55/587204455.db2.gz NABRDSVXBFAMAN-MRVPVSSYSA-N -1 1 225.292 2.189 20 0 BEADMM C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825637728 587328732 /nfs/dbraw/zinc/32/87/32/587328732.db2.gz GJBMPBITBGTIFG-AAEUAGOBSA-N -1 1 248.326 2.432 20 0 BEADMM C[C@H](C(=O)[N-]OCC1CCC1)c1cccc(O)c1 ZINC000826626812 587356959 /nfs/dbraw/zinc/35/69/59/587356959.db2.gz AUHJRJWHANXLME-JTQLQIEISA-N -1 1 249.310 2.344 20 0 BEADMM C[N@@H+](CCNC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000828330211 587435417 /nfs/dbraw/zinc/43/54/17/587435417.db2.gz VOYDYJNXTVGETF-CYBMUJFWSA-N -1 1 248.326 2.263 20 0 BEADMM Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000830471053 587552778 /nfs/dbraw/zinc/55/27/78/587552778.db2.gz DHSFKMPOSLEPMO-YPMHNXCESA-N -1 1 248.326 2.398 20 0 BEADMM Cc1ccccc1[C@H](C)N1CCN(C(=O)[O-])CC1 ZINC000832976733 587696013 /nfs/dbraw/zinc/69/60/13/587696013.db2.gz ARGSBJMYNNFBLL-LBPRGKRZSA-N -1 1 248.326 2.352 20 0 BEADMM C[C@@H]1C[C@H]1c1ccc(CNC(C)(C)C(=O)[O-])o1 ZINC000833606367 587723853 /nfs/dbraw/zinc/72/38/53/587723853.db2.gz ZFRPIPFRNRJMFU-PSASIEDQSA-N -1 1 237.299 2.356 20 0 BEADMM CC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1CC1(C)C ZINC000841451575 587955328 /nfs/dbraw/zinc/95/53/28/587955328.db2.gz STKIQOFHAYKDQN-BQBZGAKWSA-N -1 1 223.238 2.490 20 0 BEADMM O=C([N-]CC1CCC(F)CC1)C(F)(F)F ZINC000844098829 588167259 /nfs/dbraw/zinc/16/72/59/588167259.db2.gz FWGJUGCEUQSIPM-UHFFFAOYSA-N -1 1 227.201 2.193 20 0 BEADMM COC/C(C)=C/C(=O)Nc1c([O-])cccc1F ZINC000845887763 588249532 /nfs/dbraw/zinc/24/95/32/588249532.db2.gz YZQBADWVSWJLLJ-SOFGYWHQSA-N -1 1 239.246 2.063 20 0 BEADMM CCO[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000847312868 588310574 /nfs/dbraw/zinc/31/05/74/588310574.db2.gz SQRDIUYPFQHPER-GFCCVEGCSA-N -1 1 249.310 2.183 20 0 BEADMM COC(=O)c1c[n-]c(SCCC2CCC2)n1 ZINC000849891977 588508122 /nfs/dbraw/zinc/50/81/22/588508122.db2.gz MFNXWBCKSCBXLJ-UHFFFAOYSA-N -1 1 240.328 2.479 20 0 BEADMM CCOCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000849920794 588509351 /nfs/dbraw/zinc/50/93/51/588509351.db2.gz BNDCVQIVAGXZKM-UHFFFAOYSA-N -1 1 228.317 2.139 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])C12CC(C1)C2 ZINC000861251860 589154422 /nfs/dbraw/zinc/15/44/22/589154422.db2.gz SJRMLKXHLHONNY-UHFFFAOYSA-N -1 1 238.674 2.179 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccncc1 ZINC000868523237 589562824 /nfs/dbraw/zinc/56/28/24/589562824.db2.gz UJQIHERPVSTVET-QWRGUYRKSA-N -1 1 236.315 2.279 20 0 BEADMM CCc1[n-]n([C@H](C)C(C)(C)C)c(=O)c1F ZINC000871961528 589845970 /nfs/dbraw/zinc/84/59/70/589845970.db2.gz QULQMLCEHVQKRJ-VXNVDRBHSA-N -1 1 214.284 2.367 20 0 BEADMM CCc1[n-]n(-c2ccc(F)cc2F)c(=O)c1F ZINC000871940066 589834876 /nfs/dbraw/zinc/83/48/76/589834876.db2.gz CYHUEFLMKFASLA-SNVBAGLBSA-N -1 1 242.200 2.416 20 0 BEADMM O=c1c2c([n-]n1C1CCC1)-c1ccccc1CC2 ZINC000871942998 589836634 /nfs/dbraw/zinc/83/66/34/589836634.db2.gz VLFDVZPIAPUHGA-ZDUSSCGKSA-N -1 1 240.306 2.348 20 0 BEADMM CCc1[n-]n(CC2CCCC2)c(=O)c1F ZINC000871944292 589837910 /nfs/dbraw/zinc/83/79/10/589837910.db2.gz JSCPOSHORBSMGD-SNVBAGLBSA-N -1 1 212.268 2.123 20 0 BEADMM Cc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C1CC1 ZINC000871950650 589839903 /nfs/dbraw/zinc/83/99/03/589839903.db2.gz IJUUZCFLXQROAG-LLVKDONJSA-N -1 1 249.701 2.484 20 0 BEADMM CCCc1cc(=O)n(-c2ccnc(F)c2)[n-]1 ZINC000871953241 589841538 /nfs/dbraw/zinc/84/15/38/589841538.db2.gz HFHRFFRWWTZKOT-UHFFFAOYSA-N -1 1 221.235 2.114 20 0 BEADMM C[C@@H]1CCc2[n-]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953425 589841618 /nfs/dbraw/zinc/84/16/18/589841618.db2.gz PLSBCKPZEBINFC-HQJQHLMTSA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(CCC(C)(C)C)c(=O)c1F ZINC000871957544 589843237 /nfs/dbraw/zinc/84/32/37/589843237.db2.gz HRLSFCSBMXFDRF-VIFPVBQESA-N -1 1 214.284 2.369 20 0 BEADMM Cc1[n-]n(-c2cc(C)ccc2F)c(=O)c1F ZINC000871955936 589843521 /nfs/dbraw/zinc/84/35/21/589843521.db2.gz VVZXMFWSNBNPAR-JTQLQIEISA-N -1 1 224.210 2.195 20 0 BEADMM CCc1[n-]n([C@@H](C)C(C)(C)C)c(=O)c1F ZINC000871961526 589846307 /nfs/dbraw/zinc/84/63/07/589846307.db2.gz QULQMLCEHVQKRJ-IONNQARKSA-N -1 1 214.284 2.367 20 0 BEADMM CCc1nsc([N-]c2cnn(CC)c2C)n1 ZINC000872777655 589969004 /nfs/dbraw/zinc/96/90/04/589969004.db2.gz KHTKLMHLHLLCIP-UHFFFAOYSA-N -1 1 237.332 2.369 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cc3cccnc3o2)S1 ZINC000874929146 590155884 /nfs/dbraw/zinc/15/58/84/590155884.db2.gz VKPZHPSMDPERQU-VMPITWQZSA-N -1 1 246.247 2.152 20 0 BEADMM O=C(NC[C@@H]1C=CCC1)c1ccc([O-])c(F)c1 ZINC000881497222 591219279 /nfs/dbraw/zinc/21/92/79/591219279.db2.gz WGTNHNLJUCYYBX-SECBINFHSA-N -1 1 235.258 2.227 20 0 BEADMM C[C@@H](CN1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000138126713 592237946 /nfs/dbraw/zinc/23/79/46/592237946.db2.gz URWPXVKHFHEBBS-LBPRGKRZSA-N -1 1 248.326 2.086 20 0 BEADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc([O-])cc1F ZINC000889598349 592626038 /nfs/dbraw/zinc/62/60/38/592626038.db2.gz AELJITJMUWOAKC-GMOODISLSA-N -1 1 249.285 2.450 20 0 BEADMM CCc1ccc(CN[C@@H](C(=O)[O-])C(C)C)o1 ZINC000051724934 598193833 /nfs/dbraw/zinc/19/38/33/598193833.db2.gz HTNBDEYQRIJJAS-LLVKDONJSA-N -1 1 225.288 2.041 20 0 BEADMM C/C(=C/C[N@H+](C)Cc1ccsc1)C(=O)[O-] ZINC000084002380 601154421 /nfs/dbraw/zinc/15/44/21/601154421.db2.gz CJPFAHMAKWTNHF-OQFOIZHKSA-N -1 1 225.313 2.211 20 0 BEADMM C/C(=C/CN(C)Cc1ccsc1)C(=O)[O-] ZINC000084002380 601154422 /nfs/dbraw/zinc/15/44/22/601154422.db2.gz CJPFAHMAKWTNHF-OQFOIZHKSA-N -1 1 225.313 2.211 20 0 BEADMM O=C([O-])CN(Cc1cccc(F)c1F)C1CC1 ZINC000037598018 601461456 /nfs/dbraw/zinc/46/14/56/601461456.db2.gz JLTJUKHNWMLZEZ-UHFFFAOYSA-N -1 1 241.237 2.014 20 0 BEADMM CC(C)(CNCc1ccc(Cl)o1)NC(=O)[O-] ZINC000824005805 603575710 /nfs/dbraw/zinc/57/57/10/603575710.db2.gz JGRAJMCUWNYCGT-UHFFFAOYSA-N -1 1 246.694 2.069 20 0 BEADMM C/C(=C\CN1CC=C(C(F)(F)F)CC1)C(=O)[O-] ZINC000382531801 604644847 /nfs/dbraw/zinc/64/48/47/604644847.db2.gz LMDNHYPQWMZUHP-KRXBUXKQSA-N -1 1 249.232 2.212 20 0 BEADMM C/C(=C/CN1CC=C(C(F)(F)F)CC1)C(=O)[O-] ZINC000382531808 604645545 /nfs/dbraw/zinc/64/55/45/604645545.db2.gz LMDNHYPQWMZUHP-WAPJZHGLSA-N -1 1 249.232 2.212 20 0 BEADMM CC(C)C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095224718 607730499 /nfs/dbraw/zinc/73/04/99/607730499.db2.gz NLXXMPGMYMDKGU-VIFPVBQESA-N -1 1 246.318 2.108 20 0 BEADMM CC(C)C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095224718 607730501 /nfs/dbraw/zinc/73/05/01/607730501.db2.gz NLXXMPGMYMDKGU-VIFPVBQESA-N -1 1 246.318 2.108 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188353626 635292254 /nfs/dbraw/zinc/29/22/54/635292254.db2.gz ZFCJYRAIWQJHBH-RITPCOANSA-N -1 1 226.663 2.035 20 0 BEADMM CC(C)CNC(=O)c1c([O-])cccc1Cl ZINC000049084854 636008963 /nfs/dbraw/zinc/00/89/63/636008963.db2.gz JWWSMQRNHTTYOE-UHFFFAOYSA-N -1 1 227.691 2.431 20 0 BEADMM Cc1cc(C)c(CC(=O)[N-]OCC(F)F)s1 ZINC000907380834 638376854 /nfs/dbraw/zinc/37/68/54/638376854.db2.gz FWULBBFSHIAQJN-UHFFFAOYSA-N -1 1 249.282 2.220 20 0 BEADMM Cc1cc(C)c(CC(=O)[N-]OC(C)C)s1 ZINC000908570656 639021387 /nfs/dbraw/zinc/02/13/87/639021387.db2.gz TWDBPTQGNGUUQT-UHFFFAOYSA-N -1 1 227.329 2.364 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909972774 639294340 /nfs/dbraw/zinc/29/43/40/639294340.db2.gz ONAPCQAOBVEXSV-RITPCOANSA-N -1 1 227.210 2.265 20 0 BEADMM O=C(Nc1cc([O-])c(F)cc1F)C1(F)CC1 ZINC000909987854 639300935 /nfs/dbraw/zinc/30/09/35/639300935.db2.gz LPMSSGHRBAPMGC-UHFFFAOYSA-N -1 1 231.173 2.111 20 0 BEADMM COCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910980418 639553854 /nfs/dbraw/zinc/55/38/54/639553854.db2.gz CQYLONMWWICXFG-UHFFFAOYSA-N -1 1 245.225 2.036 20 0 BEADMM CCOCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983932 639556049 /nfs/dbraw/zinc/55/60/49/639556049.db2.gz LHFKFLATVKYRFB-UHFFFAOYSA-N -1 1 245.225 2.036 20 0 BEADMM C[C@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000914154740 641588181 /nfs/dbraw/zinc/58/81/81/641588181.db2.gz MDSAUTUBQVFIOI-VIFPVBQESA-N -1 1 242.278 2.175 20 0 BEADMM CCc1ccccc1-n1[n-]c(C)c(F)c1=O ZINC000917346069 642044804 /nfs/dbraw/zinc/04/48/04/642044804.db2.gz ZGPVBYAPUKHQSS-LLVKDONJSA-N -1 1 220.247 2.310 20 0 BEADMM Cc1[n-]n(-c2cc(C)cc(C)c2)c(=O)c1F ZINC000917347328 642045143 /nfs/dbraw/zinc/04/51/43/642045143.db2.gz ADJSHPTZDVJNNI-NSHDSACASA-N -1 1 220.247 2.364 20 0 BEADMM COC(=O)c1c[n-]c(S[C@H](C)C2CC2)n1 ZINC000917496017 642071031 /nfs/dbraw/zinc/07/10/31/642071031.db2.gz IWIBSXSFHPCHKZ-ZCFIWIBFSA-N -1 1 226.301 2.087 20 0 BEADMM C[C@@H](n1[n-]c2c(c1=O)CCC2)C(C)(C)C ZINC000400357097 642482865 /nfs/dbraw/zinc/48/28/65/642482865.db2.gz WEZKZXTYUFSCFL-BDAKNGLRSA-N -1 1 208.305 2.419 20 0 BEADMM Cc1ccc(CN2CCC[C@]2(C)C(=O)[O-])o1 ZINC000070618185 643052890 /nfs/dbraw/zinc/05/28/90/643052890.db2.gz YEKPHMYBYKSKFL-GFCCVEGCSA-N -1 1 223.272 2.027 20 0 BEADMM c1ccc2sc(SCc3nn[n-]n3)nc2c1 ZINC000095251127 643343943 /nfs/dbraw/zinc/34/39/43/643343943.db2.gz FWJGFZYPHZLLLA-UHFFFAOYSA-N -1 1 249.324 2.102 20 0 BEADMM CC1(C)C(C(=O)[N-]O[C@H]2CCCCO2)C1(C)C ZINC000073226756 643414552 /nfs/dbraw/zinc/41/45/52/643414552.db2.gz DXZBONULOIIGHW-VIFPVBQESA-N -1 1 241.331 2.243 20 0 BEADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C1CC1 ZINC000307367500 643456205 /nfs/dbraw/zinc/45/62/05/643456205.db2.gz OVIWPZATJKASOF-ZETCQYMHSA-N -1 1 209.211 2.100 20 0 BEADMM C/C(=C\CN1CCc2sccc2C1)C(=O)[O-] ZINC000084002175 643640215 /nfs/dbraw/zinc/64/02/15/643640215.db2.gz JORVMACJZCTMEK-XNWCZRBMSA-N -1 1 237.324 2.137 20 0 BEADMM CCc1cc(=O)[n-]c(SC/C=C/Cl)n1 ZINC000195057714 644357695 /nfs/dbraw/zinc/35/76/95/644357695.db2.gz PPCGISUBLDKQOL-ONEGZZNKSA-N -1 1 230.720 2.177 20 0 BEADMM C[C@H]1C[C@@H]1c1noc(-c2ccc(N)cc2[O-])n1 ZINC000088046439 644507858 /nfs/dbraw/zinc/50/78/58/644507858.db2.gz UBNVMIXKWCGPSB-RCOVLWMOSA-N -1 1 231.255 2.148 20 0 BEADMM C[C@@H]1C[C@@H]1c1noc(-c2ccc(N)cc2[O-])n1 ZINC000088046438 644508594 /nfs/dbraw/zinc/50/85/94/644508594.db2.gz UBNVMIXKWCGPSB-MUWHJKNJSA-N -1 1 231.255 2.148 20 0 BEADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccsc1 ZINC000817354754 644973526 /nfs/dbraw/zinc/97/35/26/644973526.db2.gz PONUKDCEOZABQB-QMMMGPOBSA-N -1 1 225.313 2.309 20 0 BEADMM O=C(Nc1nccn1C1CC1)c1ccccc1[O-] ZINC000857538487 645604146 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UDIKUKDUCJARKT-UHFFFAOYSA-N -1 1 241.287 2.068 20 0 BEADMM [O-]c1c(F)ccc(CN2CC=CC2)c1F ZINC001232932143 978340581 /nfs/dbraw/zinc/34/05/81/978340581.db2.gz WJRHGLBAWUTBEL-UHFFFAOYSA-N -1 1 211.211 2.042 20 0 BEADMM C[C@H]1CCN1Cc1ccc(F)c([O-])c1F ZINC001232930831 978343316 /nfs/dbraw/zinc/34/33/16/978343316.db2.gz FHUBHHOEIIUTAN-ZETCQYMHSA-N -1 1 213.227 2.265 20 0 BEADMM CN(Cc1ccc(F)c([O-])c1F)CC(F)F ZINC001232938996 978346063 /nfs/dbraw/zinc/34/60/63/978346063.db2.gz LBIQWHDAGYDQHJ-UHFFFAOYSA-N -1 1 237.196 2.367 20 0 BEADMM [O-]c1cc(CN2CCCCO2)cc(F)c1F ZINC001232970039 978374629 /nfs/dbraw/zinc/37/46/29/978374629.db2.gz GPMOBJOLNRQVTB-UHFFFAOYSA-N -1 1 229.226 2.198 20 0 BEADMM [O-]c1cc(CN2CC[C@@H](F)C2)cc(F)c1F ZINC001232970291 978375133 /nfs/dbraw/zinc/37/51/33/978375133.db2.gz IXZGVUCINZHDEE-MRVPVSSYSA-N -1 1 231.217 2.214 20 0 BEADMM Cc1noc([N-]CC(F)(F)C(C)(C)C)n1 ZINC001337928875 978568175 /nfs/dbraw/zinc/56/81/75/978568175.db2.gz CXDYMXWNDYIEHB-UHFFFAOYSA-N -1 1 219.235 2.471 20 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Cc1ccc(F)c(-c2ccc(N(C)C)nn2)c1[O-] ZINC001236389002 979574251 /nfs/dbraw/zinc/57/42/51/979574251.db2.gz DQBBGDQELBZVQK-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM C[C@H](NCc1ccn(C)c1)c1cc(C(=O)[O-])co1 ZINC001604349290 979624201 /nfs/dbraw/zinc/62/42/01/979624201.db2.gz RMDYTYPHHYTRLS-VIFPVBQESA-N -1 1 248.282 2.167 20 0 BEADMM C[C@@H]1CCN(Cc2ncc(C(=O)[O-])s2)[C@@H]1C ZINC001604757467 979715241 /nfs/dbraw/zinc/71/52/41/979715241.db2.gz QRMQHKMWIWQYRT-HTQZYQBOSA-N -1 1 240.328 2.072 20 0 BEADMM CC[C@H](NCCC(C)(C)C(=O)[O-])C(F)F ZINC001605097840 979815485 /nfs/dbraw/zinc/81/54/85/979815485.db2.gz PWBZXYZOXUVXBX-ZETCQYMHSA-N -1 1 223.263 2.121 20 0 BEADMM COc1cccc([C@H](C(=O)[O-])N2[C@H](C)C[C@@H]2C)c1 ZINC001607309338 980092456 /nfs/dbraw/zinc/09/24/56/980092456.db2.gz IZKPPUKKCCPYHI-GBIKHYSHSA-N -1 1 249.310 2.304 20 0 BEADMM CC1(C)OC[C@@H](Cc2ccc([O-])c(F)c2F)O1 ZINC001250183890 980214186 /nfs/dbraw/zinc/21/41/86/980214186.db2.gz BPUCHZXBRLEWMY-MRVPVSSYSA-N -1 1 244.237 2.364 20 0 BEADMM Cn1cc(Nc2c(F)ccc([O-])c2Cl)nn1 ZINC001250228603 980337270 /nfs/dbraw/zinc/33/72/70/980337270.db2.gz FZGVZETZGVDGSZ-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM Nc1ccnc(-c2ccc(C(=O)[O-])cc2F)c1 ZINC001239243365 980501425 /nfs/dbraw/zinc/50/14/25/980501425.db2.gz HQTKMHAFINBGSK-UHFFFAOYSA-N -1 1 232.214 2.168 20 0 BEADMM Cn1cncc1Nc1ccc(C(=O)[O-])cc1F ZINC001203286466 980831605 /nfs/dbraw/zinc/83/16/05/980831605.db2.gz HIAVFRSMDSLGKV-UHFFFAOYSA-N -1 1 235.218 2.001 20 0 BEADMM O=C(Cc1c(Cl)ccc([O-])c1F)NC1CC1 ZINC001250381013 980881451 /nfs/dbraw/zinc/88/14/51/980881451.db2.gz AQRZCWNRPUZSSX-UHFFFAOYSA-N -1 1 243.665 2.006 20 0 BEADMM O=C1Cc2cc(C3=CCCC3)ccc2C(=O)[N-]1 ZINC001239789916 980929265 /nfs/dbraw/zinc/92/92/65/980929265.db2.gz ZPIADEAHTZFPKQ-UHFFFAOYSA-N -1 1 227.263 2.066 20 0 BEADMM C[C@H]1CC[C@H](NC(=O)Nc2ncccc2[O-])CC1 ZINC001191791823 981088924 /nfs/dbraw/zinc/08/89/24/981088924.db2.gz HANZTZOPQRUZIL-MGCOHNPYSA-N -1 1 249.314 2.487 20 0 BEADMM CC(C)ONC(=O)c1c([O-])cccc1Cl ZINC001347893369 981211272 /nfs/dbraw/zinc/21/12/72/981211272.db2.gz IHSWLIRVTGOFFO-UHFFFAOYSA-N -1 1 229.663 2.115 20 0 BEADMM COc1cccc([C@H](C)C(=O)[N-]OC(C)C)c1 ZINC001347998638 981239973 /nfs/dbraw/zinc/23/99/73/981239973.db2.gz QRYPTZKNQJQPBH-JTQLQIEISA-N -1 1 237.299 2.255 20 0 BEADMM [O-]c1ccc(F)cc1-c1cnc(F)cn1 ZINC001240698152 981614647 /nfs/dbraw/zinc/61/46/47/981614647.db2.gz IPPTVZXZSQUJQY-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM COc1cc(C)c(-c2ccc([O-])c(F)c2)nn1 ZINC001240781793 981820241 /nfs/dbraw/zinc/82/02/41/981820241.db2.gz JCAUMSCASSEYCM-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM Cc1ccc(C(N)=O)c(-c2ccc([O-])c(F)c2)n1 ZINC001240783238 981822054 /nfs/dbraw/zinc/82/20/54/981822054.db2.gz QMIYNGDRIBFQKG-UHFFFAOYSA-N -1 1 246.241 2.001 20 0 BEADMM Cc1cc(N(C)C)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782787 981823992 /nfs/dbraw/zinc/82/39/92/981823992.db2.gz JGZKZCLCHMYXOW-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001586091044 981968431 /nfs/dbraw/zinc/96/84/31/981968431.db2.gz IYZBRWKXFPTAJQ-ZDUSSCGKSA-N -1 1 248.326 2.438 20 0 BEADMM CC1(C)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC001586601916 982005766 /nfs/dbraw/zinc/00/57/66/982005766.db2.gz VJCGKWCDJSAZOM-UHFFFAOYSA-N -1 1 241.237 2.295 20 0 BEADMM Cc1cc(C(=O)[N-]c2cc(C(C)C)on2)on1 ZINC001586722448 982015209 /nfs/dbraw/zinc/01/52/09/982015209.db2.gz RXLCLDPUFNKMAN-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM Cc1ccn(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001587389897 982070006 /nfs/dbraw/zinc/07/00/06/982070006.db2.gz SYMMFKJDOLEYGW-UHFFFAOYSA-N -1 1 248.257 2.431 20 0 BEADMM [O-]c1cc(F)c(-c2cnc3nccn3c2)c(F)c1 ZINC001241122286 982247928 /nfs/dbraw/zinc/24/79/28/982247928.db2.gz LCPYSCFWCQEMEK-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM [O-]c1cc(F)c(-c2cnc3n[nH]nc3c2)c(F)c1 ZINC001241122340 982248829 /nfs/dbraw/zinc/24/88/29/982248829.db2.gz MPDTVHLFCHUROK-UHFFFAOYSA-N -1 1 248.192 2.004 20 0 BEADMM CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(C(=O)[O-])co1 ZINC001594883615 982254080 /nfs/dbraw/zinc/25/40/80/982254080.db2.gz UFJYMQPSRNPVQF-DJLDLDEBSA-N -1 1 240.303 2.458 20 0 BEADMM COc1cc(C)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241256097 982391545 /nfs/dbraw/zinc/39/15/45/982391545.db2.gz NCRCOYLBCTWKSV-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM COCc1cnc(-c2cc([O-])cc(F)c2)nc1 ZINC001241255981 982393127 /nfs/dbraw/zinc/39/31/27/982393127.db2.gz INQSHYJYTZDRLT-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM [O-]c1ccc(F)c(-c2cnc(F)cn2)c1F ZINC001241292515 982431805 /nfs/dbraw/zinc/43/18/05/982431805.db2.gz DFNWLZWJMGUPRE-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM COc1cncnc1-c1c(F)ccc([O-])c1F ZINC001241291696 982432124 /nfs/dbraw/zinc/43/21/24/982432124.db2.gz RWRBEWAWXJBHKP-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Cc1nccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291445 982434518 /nfs/dbraw/zinc/43/45/18/982434518.db2.gz LDWNRUAHBKJSTF-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM COc1cnc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241291679 982434629 /nfs/dbraw/zinc/43/46/29/982434629.db2.gz QXBYSFVFOJOLAR-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM C[C@@H]1CCc2[n-]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086277 982462594 /nfs/dbraw/zinc/46/25/94/982462594.db2.gz ZELZOPHDVBIPTM-PWSUYJOCSA-N -1 1 243.310 2.216 20 0 BEADMM CCC[C@@H](C)CCCn1ccnc1-c1nnn[n-]1 ZINC001590550397 982949585 /nfs/dbraw/zinc/94/95/85/982949585.db2.gz UVHRHVLKSQLPGX-SNVBAGLBSA-N -1 1 248.334 2.280 20 0 BEADMM CCC[C@@H](C)CCCn1ccnc1-c1nn[n-]n1 ZINC001590550397 982949595 /nfs/dbraw/zinc/94/95/95/982949595.db2.gz UVHRHVLKSQLPGX-SNVBAGLBSA-N -1 1 248.334 2.280 20 0 BEADMM CCCCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590597178 982961094 /nfs/dbraw/zinc/96/10/94/982961094.db2.gz LMONFAFBUYSDPE-UHFFFAOYSA-N -1 1 246.318 2.172 20 0 BEADMM CCCCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590597178 982961108 /nfs/dbraw/zinc/96/11/08/982961108.db2.gz LMONFAFBUYSDPE-UHFFFAOYSA-N -1 1 246.318 2.172 20 0 BEADMM Cc1cnc(CN(C)C(C)(C)CC(=O)[O-])s1 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/nfs/dbraw/zinc/42/00/68/983420068.db2.gz CEKSTHLKFDXALH-UHFFFAOYSA-N -1 1 206.172 2.152 20 0 BEADMM [O-]c1cc(F)ccc1-c1cn2ncnc2cc1F ZINC001242220862 983425227 /nfs/dbraw/zinc/42/52/27/983425227.db2.gz DTSOYKIFSYMFSN-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM COC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879702 983486127 /nfs/dbraw/zinc/48/61/27/983486127.db2.gz RDYWPHRUXXOABY-UHFFFAOYSA-N -1 1 201.609 2.224 20 0 BEADMM [O-]c1c(F)cccc1-c1cc2nc[nH]c2cn1 ZINC001242349803 983614920 /nfs/dbraw/zinc/61/49/20/983614920.db2.gz UCYFTYGEUANOJX-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM O=c1occcc1-c1cccc(F)c1[O-] ZINC001242352319 983626263 /nfs/dbraw/zinc/62/62/63/983626263.db2.gz ROQVKFUMINQTQG-UHFFFAOYSA-N -1 1 206.172 2.152 20 0 BEADMM Cn1cncc1-c1cccc(Cl)c1[O-] ZINC001242364712 983656256 /nfs/dbraw/zinc/65/62/56/983656256.db2.gz BHZUCJDRMYKPKO-UHFFFAOYSA-N -1 1 208.648 2.446 20 0 BEADMM O=C(c1ccc([O-])cn1)N(C1CC1)C1CCCC1 ZINC001543048159 984019176 /nfs/dbraw/zinc/01/91/76/984019176.db2.gz 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243.241 2.480 20 0 BEADMM Cn1ccc2cnc(-c3ccc(F)c([O-])c3)nc21 ZINC001243050393 984400997 /nfs/dbraw/zinc/40/09/97/984400997.db2.gz ZKSBZJFNFBADIM-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1cc(-c2ncnn3cccc23)ccc1F ZINC001243052084 984407487 /nfs/dbraw/zinc/40/74/87/984407487.db2.gz VALLRKMWCABIHU-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM Cc1cc(C)nc(NC(=O)c2ccc([O-])cn2)c1 ZINC001446429506 984660689 /nfs/dbraw/zinc/66/06/89/984660689.db2.gz VABATZQWCFENJI-UHFFFAOYSA-N -1 1 243.266 2.051 20 0 BEADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc([O-])cn1 ZINC001446652807 984665951 /nfs/dbraw/zinc/66/59/51/984665951.db2.gz GPSUYOZJCGEOCM-NSHDSACASA-N -1 1 246.310 2.216 20 0 BEADMM [O-]c1ccc(-c2ccn3cnnc3c2)c(F)c1F ZINC001243339318 984828726 /nfs/dbraw/zinc/82/87/26/984828726.db2.gz OINSLZRPHOAXKJ-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM CCC[C@@H](CC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257251404 984856849 /nfs/dbraw/zinc/85/68/49/984856849.db2.gz OGNRLZHIRARVFN-SSDOTTSWSA-N -1 1 235.291 2.049 20 0 BEADMM CCC[C@H](CC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257251405 984857126 /nfs/dbraw/zinc/85/71/26/984857126.db2.gz OGNRLZHIRARVFN-ZETCQYMHSA-N -1 1 235.291 2.049 20 0 BEADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc([O-])cn1 ZINC001451065622 984879878 /nfs/dbraw/zinc/87/98/78/984879878.db2.gz NLNBDZIWTVGUEF-VIFPVBQESA-N -1 1 234.299 2.190 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cnc2nccn2c1 ZINC001243502209 985055047 /nfs/dbraw/zinc/05/50/47/985055047.db2.gz HFQCMDBZHDAWIU-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM COc1ncc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243503661 985060393 /nfs/dbraw/zinc/06/03/93/985060393.db2.gz JKXYSBUIJLBPLV-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM O=C(Nc1ccc(O)cc1O)c1ccccc1[O-] ZINC001455300663 985064596 /nfs/dbraw/zinc/06/45/96/985064596.db2.gz CLNJUSJARIWEGE-UHFFFAOYSA-N -1 1 245.234 2.056 20 0 BEADMM O=C(NC[C@@H]1C=CCC1)c1cccc([O-])c1F ZINC001455221451 985066854 /nfs/dbraw/zinc/06/68/54/985066854.db2.gz CFEAAOFMVUHNHD-SECBINFHSA-N -1 1 235.258 2.227 20 0 BEADMM Cn1ccc2cnc(-c3cccc([O-])c3F)nc21 ZINC001243542087 985077490 /nfs/dbraw/zinc/07/74/90/985077490.db2.gz GMPUYKHDBSQDBT-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1cccc(-c2ncc3c(n2)CCC3)c1F ZINC001243542568 985080117 /nfs/dbraw/zinc/08/01/17/985080117.db2.gz KPEFCOSHMOSSOM-UHFFFAOYSA-N -1 1 230.242 2.477 20 0 BEADMM [O-]c1cc(-c2ncc3nc[nH]c3n2)ccc1Cl ZINC001243576142 985128464 /nfs/dbraw/zinc/12/84/64/985128464.db2.gz CTJVVKLBXZLYKA-UHFFFAOYSA-N -1 1 246.657 2.331 20 0 BEADMM COC1CCC(=Nc2ncccc2[O-])CC1 ZINC001212873523 985823796 /nfs/dbraw/zinc/82/37/96/985823796.db2.gz NNLQKUQVTXUKJK-JTQLQIEISA-N -1 1 220.272 2.282 20 0 BEADMM CCCc1ccnc([N-]S(=O)(=O)CCC)c1 ZINC001253634778 986292482 /nfs/dbraw/zinc/29/24/82/986292482.db2.gz VTRBZKVSSMHSGR-UHFFFAOYSA-N -1 1 242.344 2.186 20 0 BEADMM CCn1cc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000162074633 986310461 /nfs/dbraw/zinc/31/04/61/986310461.db2.gz UXPMQOAFQCPQLF-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM CC(C)N(CC1CC1)C(=O)c1ccc([O-])cn1 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987141626 /nfs/dbraw/zinc/14/16/26/987141626.db2.gz MQFLWUOVMPBWIQ-UHFFFAOYSA-N -1 1 224.210 2.419 20 0 BEADMM CCCn1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245937146 987206418 /nfs/dbraw/zinc/20/64/18/987206418.db2.gz LQBLFAXFSFNFMU-UHFFFAOYSA-N -1 1 217.272 2.248 20 0 BEADMM CC(C)Cc1nnc(-c2ncccc2[O-])o1 ZINC001256408083 987210253 /nfs/dbraw/zinc/21/02/53/987210253.db2.gz XDKLEPOSBNSCJM-UHFFFAOYSA-N -1 1 219.244 2.036 20 0 BEADMM CCc1ccc(-n2[n-]c(CCOC)cc2=O)cc1 ZINC001245940481 987213935 /nfs/dbraw/zinc/21/39/35/987213935.db2.gz SYRBOQBELWETLI-UHFFFAOYSA-N -1 1 246.310 2.329 20 0 BEADMM C[C@@H](C(=O)Nc1c[n-][nH]c1=O)[C@@H](C)C(C)(C)C ZINC001472569529 987245629 /nfs/dbraw/zinc/24/56/29/987245629.db2.gz BXHLIMRMVAKSLU-HTQZYQBOSA-N -1 1 239.319 2.372 20 0 BEADMM CC1(C(=O)Nc2c[n-][nH]c2=O)CCCCCC1 ZINC001472569998 987246873 /nfs/dbraw/zinc/24/68/73/987246873.db2.gz AFDXNQRAGVKJPB-UHFFFAOYSA-N -1 1 237.303 2.414 20 0 BEADMM CCc1oc(CN2CC(C3CC3)C2)cc1C(=O)[O-] ZINC001597796153 989350185 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C[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000605435620 344000700 /nfs/dbraw/zinc/00/07/00/344000700.db2.gz SLFUSDQCCLCUSB-RNFRBKRXSA-N -1 1 209.220 2.126 20 0 BEADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@H]1C1CC1 ZINC000335681829 398292901 /nfs/dbraw/zinc/29/29/01/398292901.db2.gz NYINHFWDDQKPPJ-LBPRGKRZSA-N -1 1 246.310 2.048 20 0 BEADMM Cc1ncsc1NC(=O)c1ccccc1[O-] ZINC000335741371 398296930 /nfs/dbraw/zinc/29/69/30/398296930.db2.gz YOMQBMUNEXISPY-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM COc1cccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634585320 342928429 /nfs/dbraw/zinc/92/84/29/342928429.db2.gz CQDSMKJEUXATRF-ZANVPECISA-N -1 1 244.294 2.444 20 0 BEADMM COc1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634585318 342928374 /nfs/dbraw/zinc/92/83/74/342928374.db2.gz CQDSMKJEUXATRF-RNCFNFMXSA-N -1 1 244.294 2.444 20 0 BEADMM CN(CC1CCCCC1)C(=O)c1cncc([O-])c1 ZINC000111739288 398332238 /nfs/dbraw/zinc/33/22/38/398332238.db2.gz NGEFDMGMTQHBDE-UHFFFAOYSA-N -1 1 248.326 2.440 20 0 BEADMM C[C@@H]1CCc2c(=O)n(CC3CCCC3)[n-]c21 ZINC000634592135 342943010 /nfs/dbraw/zinc/94/30/10/342943010.db2.gz ZHAJTCZXEPIQOX-MWLCHTKSSA-N -1 1 220.316 2.421 20 0 BEADMM COc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634593754 342951460 /nfs/dbraw/zinc/95/14/60/342951460.db2.gz YVLRXVNZBJUTRM-NOZJJQNGSA-N -1 1 244.294 2.444 20 0 BEADMM Cc1[n-]n(-c2cc(C)ccn2)c(=O)c1C1CC1 ZINC000634600442 342993399 /nfs/dbraw/zinc/99/33/99/342993399.db2.gz HIIXYTPZEZLTDY-LBPRGKRZSA-N -1 1 229.283 2.139 20 0 BEADMM CCCc1[n-]n(C[C@@H]2CCCO2)c(=O)c1CC ZINC000634598975 342983095 /nfs/dbraw/zinc/98/30/95/342983095.db2.gz XIHZFTHUHFPITG-QWRGUYRKSA-N -1 1 238.331 2.190 20 0 BEADMM Cc1[n-]n([C@@H]2CCC[C@@H](C)C2)c(=O)c1C ZINC000634599440 342988274 /nfs/dbraw/zinc/98/82/74/342988274.db2.gz IOQGOGMFICBSGV-FXPVBKGRSA-N -1 1 208.305 2.419 20 0 BEADMM Cc1[n-]n(-c2cccc(C)n2)c(=O)c1C1CC1 ZINC000634612523 343009349 /nfs/dbraw/zinc/00/93/49/343009349.db2.gz APEZMDLRBWTATQ-GFCCVEGCSA-N -1 1 229.283 2.139 20 0 BEADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)n1 ZINC000634612725 343009691 /nfs/dbraw/zinc/00/96/91/343009691.db2.gz HCGTVKOWJQROAM-PRHODGIISA-N -1 1 229.283 2.139 20 0 BEADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)n1 ZINC000634612727 343009789 /nfs/dbraw/zinc/00/97/89/343009789.db2.gz HCGTVKOWJQROAM-UFBFGSQYSA-N -1 1 229.283 2.139 20 0 BEADMM O=c1c2c([n-]n1C1CC1)-c1ccccc1CCC2 ZINC000634618548 343016632 /nfs/dbraw/zinc/01/66/32/343016632.db2.gz VRVIYELIZMCVCE-CYBMUJFWSA-N -1 1 240.306 2.348 20 0 BEADMM Cc1cc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)ccn1 ZINC000634619151 343017936 /nfs/dbraw/zinc/01/79/36/343017936.db2.gz QFXSAROSHYYNKI-UFBFGSQYSA-N -1 1 229.283 2.139 20 0 BEADMM CCCCCn1[n-]c2c(c1=O)CC[C@@H]2C ZINC000634619056 343018024 /nfs/dbraw/zinc/01/80/24/343018024.db2.gz NKGISWKVOBKLJQ-VHSXEESVSA-N -1 1 208.305 2.421 20 0 BEADMM CCC(CC)Cn1[n-]c2c(c1=O)CCC2 ZINC000634621800 343020308 /nfs/dbraw/zinc/02/03/08/343020308.db2.gz PUSPFFGYJBDXKU-SNVBAGLBSA-N -1 1 208.305 2.421 20 0 BEADMM 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343034614 /nfs/dbraw/zinc/03/46/14/343034614.db2.gz RGJLSVMWJQNWKU-SNVBAGLBSA-N -1 1 232.287 2.006 20 0 BEADMM CCCc1c(C)[n-]n([C@@H]2CCOC2(C)C)c1=O ZINC000634631764 343043089 /nfs/dbraw/zinc/04/30/89/343043089.db2.gz BQILVDACXQBIHC-WDEREUQCSA-N -1 1 238.331 2.188 20 0 BEADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccco1 ZINC000141803709 343101282 /nfs/dbraw/zinc/10/12/82/343101282.db2.gz NTTZXMPXQHHOHG-LLVKDONJSA-N -1 1 225.288 2.211 20 0 BEADMM C[C@@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Cl ZINC000165967846 343212468 /nfs/dbraw/zinc/21/24/68/343212468.db2.gz CHNFQODLGYSOOG-ZETCQYMHSA-N -1 1 245.681 2.384 20 0 BEADMM O=C(c1ncccc1[O-])N1CCCCCCC1 ZINC000037760620 343353954 /nfs/dbraw/zinc/35/39/54/343353954.db2.gz YCOBHZSNQISEGZ-UHFFFAOYSA-N -1 1 234.299 2.194 20 0 BEADMM Cc1ccsc1CNC(=O)c1cncc([O-])c1 ZINC000113751778 136317832 /nfs/dbraw/zinc/31/78/32/136317832.db2.gz VUCBATCCHCHJDZ-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM Cc1cnc(C(=O)N2CCCC[C@@H]2C)c([O-])c1 ZINC000335663616 136315797 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191380149 /nfs/dbraw/zinc/38/01/49/191380149.db2.gz KOPSGMWAJAZVGP-XHNCKOQMSA-N -1 1 241.360 2.124 20 0 BEADMM CCc1cc(C(=O)Nc2c([O-])cccc2F)n[nH]1 ZINC000608367601 355379918 /nfs/dbraw/zinc/37/99/18/355379918.db2.gz ZDKOKBNTVKPOJH-UHFFFAOYSA-N -1 1 249.245 2.069 20 0 BEADMM COC(=O)c1c[n-]c(SCC[C@@H](C)F)n1 ZINC000349820730 355470005 /nfs/dbraw/zinc/47/00/05/355470005.db2.gz YKDJLCVVENCGGP-ZCFIWIBFSA-N -1 1 232.280 2.037 20 0 BEADMM O=C(N[C@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000424991759 191908565 /nfs/dbraw/zinc/90/85/65/191908565.db2.gz UPHOGMQMEPSKCE-JTQLQIEISA-N -1 1 237.686 2.328 20 0 BEADMM CSC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000613509510 363468934 /nfs/dbraw/zinc/46/89/34/363468934.db2.gz IWXDURNIORVUNV-ZETCQYMHSA-N -1 1 243.303 2.013 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000324217208 356790178 /nfs/dbraw/zinc/79/01/78/356790178.db2.gz VTJXHIGAIIVQAG-LBPRGKRZSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000235321962 357865080 /nfs/dbraw/zinc/86/50/80/357865080.db2.gz HZMYEWUHKJLXPG-BDAKNGLRSA-N -1 1 237.274 2.450 20 0 BEADMM O=C([N-][C@H]1CC2CCC1CC2)C(F)(F)F ZINC000306346507 359666334 /nfs/dbraw/zinc/66/63/34/359666334.db2.gz PQKUZVMABOJYBZ-RRQHEKLDSA-N -1 1 221.222 2.244 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Cl)c1 ZINC001641597953 1172270147 /nfs/dbraw/zinc/27/01/47/1172270147.db2.gz DDHWECJTAWMVHR-UHFFFAOYSA-N -1 1 237.646 2.021 20 0 BEADMM O=C(c1ccc([O-])cc1F)N(C1CC1)C1CC1 ZINC000628814487 360678373 /nfs/dbraw/zinc/67/83/73/360678373.db2.gz BTIQYOIPNIGCHI-UHFFFAOYSA-N -1 1 235.258 2.298 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC12CC2 ZINC000628960316 360773517 /nfs/dbraw/zinc/77/35/17/360773517.db2.gz NWYJWULNIWHJHA-SSDOTTSWSA-N -1 1 221.231 2.270 20 0 BEADMM CO[C@@H](C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000628960088 360773520 /nfs/dbraw/zinc/77/35/20/360773520.db2.gz RZLAAROABQKQNU-QMMMGPOBSA-N -1 1 241.262 2.285 20 0 BEADMM COC[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960337 360773001 /nfs/dbraw/zinc/77/30/01/360773001.db2.gz DGYKDLXEZAEXSB-QMMMGPOBSA-N -1 1 241.262 2.142 20 0 BEADMM COCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960377 360773478 /nfs/dbraw/zinc/77/34/78/360773478.db2.gz GCUTYUDNKRSELN-UHFFFAOYSA-N -1 1 241.262 2.287 20 0 BEADMM CN(C(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640340669 360991027 /nfs/dbraw/zinc/99/10/27/360991027.db2.gz MKVWCCVUVDAZDP-UHFFFAOYSA-N -1 1 247.323 2.344 20 0 BEADMM CCc1noc(C)c1C(=O)[N-]c1conc1C ZINC000640488752 361281710 /nfs/dbraw/zinc/28/17/10/361281710.db2.gz LPGRJQMZEJFYLC-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM Cc1nocc1[N-]C(=O)c1conc1C(C)C ZINC000640479503 361260527 /nfs/dbraw/zinc/26/05/27/361260527.db2.gz CAAFJAIAIFNWNW-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM CCCc1c(C)[n-]n(Cc2cccnc2)c1=O ZINC000614189717 363750053 /nfs/dbraw/zinc/75/00/53/363750053.db2.gz PUKQIVWHCXYQEO-LBPRGKRZSA-N -1 1 231.299 2.216 20 0 BEADMM CCc1c(C)[n-]n(CCc2ccccc2)c1=O ZINC000614190125 363751129 /nfs/dbraw/zinc/75/11/29/363751129.db2.gz 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KZKZAZSUVWTCMI-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc([O-])cc1F ZINC000436820341 201338997 /nfs/dbraw/zinc/33/89/97/201338997.db2.gz HAYGWCFNUROKNV-BZBKMWRSSA-N -1 1 235.258 2.060 20 0 BEADMM CC[C@H](C)N(CC)C(=O)c1ncccc1[O-] ZINC000037760678 364603733 /nfs/dbraw/zinc/60/37/33/364603733.db2.gz AKPCOXQFRJYKDU-VIFPVBQESA-N -1 1 222.288 2.048 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000615220605 364639032 /nfs/dbraw/zinc/63/90/32/364639032.db2.gz GMUQNXKOICNPJJ-IONNQARKSA-N -1 1 237.303 2.189 20 0 BEADMM CCC(CC)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615219803 364640333 /nfs/dbraw/zinc/64/03/33/364640333.db2.gz BZQSTDMTIAAFNR-UHFFFAOYSA-N -1 1 225.292 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000615222395 364642701 /nfs/dbraw/zinc/64/27/01/364642701.db2.gz SBAIYQDPTHLNML-ZETCQYMHSA-N -1 1 239.319 2.435 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000615222789 364643956 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/nfs/dbraw/zinc/77/32/41/369773241.db2.gz DHPKPQDBVRZKJF-ZETCQYMHSA-N -1 1 225.675 2.280 20 0 BEADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccoc1 ZINC000568061369 326302333 /nfs/dbraw/zinc/30/23/33/326302333.db2.gz DHRBGBKKYOAYSN-LLVKDONJSA-N -1 1 225.288 2.211 20 0 BEADMM CSCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000070183982 371014090 /nfs/dbraw/zinc/01/40/90/371014090.db2.gz UXHZRCUYJHKZQN-UHFFFAOYSA-N -1 1 245.731 2.138 20 0 BEADMM O=C(Nc1ccc([O-])c(F)c1F)C12CC(C1)C2 ZINC000627680297 371839227 /nfs/dbraw/zinc/83/92/27/371839227.db2.gz AXPDIOXQLNYCAI-UHFFFAOYSA-N -1 1 239.221 2.409 20 0 BEADMM O=C(CSc1ncccn1)c1ccc([O-])cc1 ZINC000015707788 182010416 /nfs/dbraw/zinc/01/04/16/182010416.db2.gz OZVBROXLOOPHKX-UHFFFAOYSA-N -1 1 246.291 2.157 20 0 BEADMM C[C@H](CF)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633083036 373289179 /nfs/dbraw/zinc/28/91/79/373289179.db2.gz DSUCBANFZMSUFM-SSDOTTSWSA-N -1 1 245.681 2.062 20 0 BEADMM C[C@@H](CF)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633083042 373289478 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XEYNTJWBQGPVTD-JTQLQIEISA-N -1 1 246.310 2.097 20 0 BEADMM O=C(NC/C=C/Cl)c1cccc([O-])c1F ZINC001648416792 1172833753 /nfs/dbraw/zinc/83/37/53/1172833753.db2.gz MTDNGVTXKOZROZ-GORDUTHDSA-N -1 1 229.638 2.014 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)c1cc(Cl)cs1 ZINC001651044383 1172914821 /nfs/dbraw/zinc/91/48/21/1172914821.db2.gz GVEVHDNGQUMBDP-UHFFFAOYSA-N -1 1 243.675 2.083 20 0 BEADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1c[n-][nH]c1=O ZINC001651044639 1172917397 /nfs/dbraw/zinc/91/73/97/1172917397.db2.gz RPRHAWASXVJMHU-RKDXNWHRSA-N -1 1 237.303 2.270 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]1C1CC1 ZINC000650698940 410328702 /nfs/dbraw/zinc/32/87/02/410328702.db2.gz JOGDLWUDSGHWGI-NSHDSACASA-N -1 1 235.258 2.156 20 0 BEADMM O=C([N-]C[C@]12C[C@H]1CCCC2)C(F)(F)F ZINC000575482399 411314409 /nfs/dbraw/zinc/31/44/09/411314409.db2.gz WNHQBWONGKEYOB-APPZFPTMSA-N -1 1 221.222 2.245 20 0 BEADMM CC1=C(C(=O)[N-]OC2CCCC2)CCCO1 ZINC000271835924 168077709 /nfs/dbraw/zinc/07/77/09/168077709.db2.gz TUBWYDGSHVWIFQ-UHFFFAOYSA-N -1 1 225.288 2.061 20 0 BEADMM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(C)C ZINC000103738997 168134984 /nfs/dbraw/zinc/13/49/84/168134984.db2.gz ZJINJLPCAXLENG-NSHDSACASA-N -1 1 246.314 2.088 20 0 BEADMM CC(C)[C@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287117167 411459717 /nfs/dbraw/zinc/45/97/17/411459717.db2.gz KKUORAGVVCUJSG-JTQLQIEISA-N -1 1 249.310 2.078 20 0 BEADMM CCOCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879674 170363318 /nfs/dbraw/zinc/36/33/18/170363318.db2.gz SWYODUSMXZWLFA-UHFFFAOYSA-N -1 1 243.690 2.411 20 0 BEADMM CCOCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000269090878 170366364 /nfs/dbraw/zinc/36/63/64/170366364.db2.gz ZBUAMJOZNBLOIE-UHFFFAOYSA-N -1 1 241.262 2.287 20 0 BEADMM CC[C@H](c1ccccc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660850747 411657157 /nfs/dbraw/zinc/65/71/57/411657157.db2.gz XIIFDLOWTKWVEL-LLVKDONJSA-N -1 1 247.298 2.358 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)Cc1cccs1 ZINC000292065990 171289083 /nfs/dbraw/zinc/28/90/83/171289083.db2.gz HVOZPQSXXAMNBJ-VIFPVBQESA-N -1 1 227.329 2.385 20 0 BEADMM CCc1onc(C)c1[N-]C(=O)c1cncs1 ZINC000270417470 172127048 /nfs/dbraw/zinc/12/70/48/172127048.db2.gz NJWYLQAYKMUWQM-UHFFFAOYSA-N -1 1 237.284 2.254 20 0 BEADMM CCN1C(=O)N=NC1SCCCCCF ZINC000340663442 172145777 /nfs/dbraw/zinc/14/57/77/172145777.db2.gz WQJAEVCPFZPHGU-UHFFFAOYSA-N -1 1 233.312 2.236 20 0 BEADMM CCN1C(=O)N=NC1S[C@@H](C)C(C)C ZINC000339119386 172146374 /nfs/dbraw/zinc/14/63/74/172146374.db2.gz QPDOZFYEEKKXTB-ZETCQYMHSA-N -1 1 215.322 2.140 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000149003564 176094231 /nfs/dbraw/zinc/09/42/31/176094231.db2.gz JFGFHIMFGFJMCK-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181045354 176095687 /nfs/dbraw/zinc/09/56/87/176095687.db2.gz DAHTZCFALYFANT-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)[C@@H]1C ZINC000104427097 176122652 /nfs/dbraw/zinc/12/26/52/176122652.db2.gz LHIDBBLXNUFIFZ-GIPNMCIBSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000119390131 176165744 /nfs/dbraw/zinc/16/57/44/176165744.db2.gz VRWCSBAAHSIIDH-GHMZBOCLSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000088707559 176198174 /nfs/dbraw/zinc/19/81/74/176198174.db2.gz FKUTUGDDAXNDIF-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000247485116 176212409 /nfs/dbraw/zinc/21/24/09/176212409.db2.gz KNDUHOVXLDZWBR-HOMQSWHASA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000309463260 176236800 /nfs/dbraw/zinc/23/68/00/176236800.db2.gz VDELSVWJTXKDKB-RDDDGLTNSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000131934450 177107864 /nfs/dbraw/zinc/10/78/64/177107864.db2.gz PKTMZCMVHSEJFP-QMMMGPOBSA-N -1 1 223.247 2.156 20 0 BEADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H]1C ZINC000175269650 177152932 /nfs/dbraw/zinc/15/29/32/177152932.db2.gz MPGXOLOIQQTHSA-IUCAKERBSA-N -1 1 237.274 2.402 20 0 BEADMM C[C@H]1CC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000309447018 177194968 /nfs/dbraw/zinc/19/49/68/177194968.db2.gz PSRHKMVQLFUHAW-CBAPKCEASA-N -1 1 223.247 2.060 20 0 BEADMM Cc1cnc(C(=O)NCCC(C)(C)C)c([O-])c1 ZINC000495003794 226274381 /nfs/dbraw/zinc/27/43/81/226274381.db2.gz CYSCYKDDKWUVON-UHFFFAOYSA-N -1 1 236.315 2.262 20 0 BEADMM O=C(Nc1nccs1)c1ccc([O-])c(F)c1 ZINC000681015002 487694506 /nfs/dbraw/zinc/69/45/06/487694506.db2.gz BGHCOSXPTKVPDY-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1C2CCC1CC2 ZINC000681014183 487695045 /nfs/dbraw/zinc/69/50/45/487695045.db2.gz HAOLXFUXMUAVRG-UHFFFAOYSA-N -1 1 235.258 2.298 20 0 BEADMM C[C@H](C1CC1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017842 487695804 /nfs/dbraw/zinc/69/58/04/487695804.db2.gz DPYQYHUVTBCHCR-MRVPVSSYSA-N -1 1 237.274 2.402 20 0 BEADMM O=C(NCC1CCC1)c1ccc([O-])c(F)c1 ZINC000681019132 487697424 /nfs/dbraw/zinc/69/74/24/487697424.db2.gz SBWGQUWOZQYLSM-UHFFFAOYSA-N -1 1 223.247 2.061 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CCC=C(F)C1 ZINC000681064652 487710958 /nfs/dbraw/zinc/71/09/58/487710958.db2.gz TZWZYYCAIQTHAD-UHFFFAOYSA-N -1 1 239.221 2.231 20 0 BEADMM O=C(c1ncccc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665679775 487723925 /nfs/dbraw/zinc/72/39/25/487723925.db2.gz WUKPAZPLNKQUJI-NSHDSACASA-N -1 1 246.310 2.049 20 0 BEADMM CC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195086159 487764093 /nfs/dbraw/zinc/76/40/93/487764093.db2.gz MHQUJYPAHHORDT-ZETCQYMHSA-N -1 1 238.312 2.129 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cocn1 ZINC000679643734 487765249 /nfs/dbraw/zinc/76/52/49/487765249.db2.gz JZBYXAPQKJSXNY-UHFFFAOYSA-N -1 1 238.630 2.286 20 0 BEADMM CC(=O)CCCC(=O)Nc1c([O-])cccc1F ZINC000681349058 487781910 /nfs/dbraw/zinc/78/19/10/487781910.db2.gz ZIPWJRIRZGTSOC-UHFFFAOYSA-N -1 1 239.246 2.229 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000676056009 487806313 /nfs/dbraw/zinc/80/63/13/487806313.db2.gz PUVYWIOALSAEFO-SVRRBLITSA-N -1 1 209.220 2.126 20 0 BEADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1c([O-])cccc1F ZINC000403648761 487873399 /nfs/dbraw/zinc/87/33/99/487873399.db2.gz QWWDXTSTWWMOIA-LPEHRKFASA-N -1 1 249.285 2.450 20 0 BEADMM CCc1ccc(CN(C)[C@@H](CC)C(=O)[O-])o1 ZINC000083414679 487908595 /nfs/dbraw/zinc/90/85/95/487908595.db2.gz HVJZNFRMCQBXPG-NSHDSACASA-N -1 1 225.288 2.137 20 0 BEADMM CC1(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530006305 324453674 /nfs/dbraw/zinc/45/36/74/324453674.db2.gz REJITPBFYOFSGG-UHFFFAOYSA-N -1 1 209.220 2.270 20 0 BEADMM C[C@@]1(C(=O)Nc2cccc(F)c2[O-])CCCO1 ZINC000530005504 324453869 /nfs/dbraw/zinc/45/38/69/324453869.db2.gz LPCYQCYVMATBKW-LBPRGKRZSA-N -1 1 239.246 2.039 20 0 BEADMM CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000132808081 325246258 /nfs/dbraw/zinc/24/62/58/325246258.db2.gz IRTCUKSHWZNIDI-UHFFFAOYSA-N -1 1 232.308 2.467 20 0 BEADMM CC(C)(C)CCCNC(=O)c1ncccc1[O-] ZINC000313459909 326267009 /nfs/dbraw/zinc/26/70/09/326267009.db2.gz LKHNSCVAWGHDSP-UHFFFAOYSA-N -1 1 236.315 2.343 20 0 BEADMM O=C([N-]c1cc(F)c(F)cc1F)c1cnco1 ZINC000677539456 488068086 /nfs/dbraw/zinc/06/80/86/488068086.db2.gz XKRNWXUIKDVSSP-UHFFFAOYSA-N -1 1 242.156 2.344 20 0 BEADMM CC(C)N(CC1CC1)C(=O)c1cncc([O-])c1 ZINC000111739589 487499822 /nfs/dbraw/zinc/49/98/22/487499822.db2.gz SRSOWVIZMXBQJC-UHFFFAOYSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1nsc([N-]c2cnn(CC3CC3)c2)n1 ZINC000678400678 488251476 /nfs/dbraw/zinc/25/14/76/488251476.db2.gz CTYJAUSBVIKBFZ-UHFFFAOYSA-N -1 1 235.316 2.197 20 0 BEADMM Cc1nc(S[C@@H]2CCCOC2)[n-]c(=O)c1C ZINC000679008779 488302651 /nfs/dbraw/zinc/30/26/51/488302651.db2.gz CEPNREWQKRIRRR-SECBINFHSA-N -1 1 240.328 2.070 20 0 BEADMM COCC[C@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000129946649 490182101 /nfs/dbraw/zinc/18/21/01/490182101.db2.gz SYUCNVNQGKLGBH-JTQLQIEISA-N -1 1 249.310 2.125 20 0 BEADMM CC[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000111739047 491128713 /nfs/dbraw/zinc/12/87/13/491128713.db2.gz XRTDKMAQEYGNRW-JTQLQIEISA-N -1 1 234.299 2.049 20 0 BEADMM CC[C@H]1CC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000479408702 529257550 /nfs/dbraw/zinc/25/75/50/529257550.db2.gz MLMRQZIODUDURA-UMSPYCQHSA-N -1 1 248.326 2.486 20 0 BEADMM CCc1cc(=O)[n-]c(SC2CCC2)n1 ZINC000336126891 536155146 /nfs/dbraw/zinc/15/51/46/536155146.db2.gz YQAYGTAIKJHEDN-UHFFFAOYSA-N -1 1 210.302 2.389 20 0 BEADMM CC[C@H](C)[C@H](C)Nc1cc(=O)[n-]c(COC)n1 ZINC000892615351 582930293 /nfs/dbraw/zinc/93/02/93/582930293.db2.gz BITNSHBLJUDLKO-IUCAKERBSA-N -1 1 239.319 2.175 20 0 BEADMM CC(C)[C@@H]1C[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854537700 588791603 /nfs/dbraw/zinc/79/16/03/588791603.db2.gz ZCKVDCZNVHWFBB-NWDGAFQWSA-N -1 1 219.284 2.389 20 0 BEADMM C[C@H]1C[C@H](C(=O)[N-]Oc2ccccc2)CCC1=O ZINC000854537522 588791793 /nfs/dbraw/zinc/79/17/93/588791793.db2.gz VINNGJAXEUCWSY-WDEREUQCSA-N -1 1 247.294 2.102 20 0 BEADMM CCC(C)=C(C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635178 588798335 /nfs/dbraw/zinc/79/83/35/588798335.db2.gz PDTBEUIOVKWKOD-SREVYHEPSA-N -1 1 223.276 2.109 20 0 BEADMM CC[C@@H]1C[C@H](C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858430806 582461169 /nfs/dbraw/zinc/46/11/69/582461169.db2.gz GTHBMPVVOROXCL-JGVFFNPUSA-N -1 1 241.722 2.460 20 0 BEADMM O=C(N[C@@H]1C=CCC1)c1c(F)ccc([O-])c1F ZINC000855434210 588836242 /nfs/dbraw/zinc/83/62/42/588836242.db2.gz WLXLXUBKUQDXDF-SSDOTTSWSA-N -1 1 239.221 2.119 20 0 BEADMM CC[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625718 582703315 /nfs/dbraw/zinc/70/33/15/582703315.db2.gz IWEJYCGDOAMDJP-MRVPVSSYSA-N -1 1 249.314 2.046 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccnc1 ZINC000856348192 588869303 /nfs/dbraw/zinc/86/93/03/588869303.db2.gz UDKINDRRILMUEL-SNVBAGLBSA-N -1 1 234.299 2.033 20 0 BEADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]2C[C@@H]21 ZINC000804294630 583305240 /nfs/dbraw/zinc/30/52/40/583305240.db2.gz UYBMNXBBJSEASP-PELKAZGASA-N -1 1 235.258 2.156 20 0 BEADMM Cc1cccc(C)c1CN1CCN(C(=O)[O-])CC1 ZINC000738309465 583375381 /nfs/dbraw/zinc/37/53/81/583375381.db2.gz YOKNIDIYYXVWFD-UHFFFAOYSA-N -1 1 248.326 2.099 20 0 BEADMM COCc1nc(N[C@@H]2CCCC23CC3)cc(=O)[n-]1 ZINC000894863977 583535916 /nfs/dbraw/zinc/53/59/16/583535916.db2.gz YFRAAFRSNPVSQU-SECBINFHSA-N -1 1 249.314 2.073 20 0 BEADMM CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1O ZINC000895525836 583684723 /nfs/dbraw/zinc/68/47/23/583684723.db2.gz BEQFXTOZTJLNKU-NSHDSACASA-N -1 1 248.326 2.204 20 0 BEADMM CC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858308973 588943803 /nfs/dbraw/zinc/94/38/03/588943803.db2.gz XGUYKEVDYPKSNF-RXMQYKEDSA-N -1 1 201.657 2.046 20 0 BEADMM CC(C)[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858363055 588948802 /nfs/dbraw/zinc/94/88/02/588948802.db2.gz FBQVEMQGGAYLRE-MRVPVSSYSA-N -1 1 241.722 2.460 20 0 BEADMM CC[C@H](C)CN(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858406201 588951388 /nfs/dbraw/zinc/95/13/88/588951388.db2.gz ZGHFCIYHJDZEHY-ZETCQYMHSA-N -1 1 229.711 2.318 20 0 BEADMM CSCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858416575 588952409 /nfs/dbraw/zinc/95/24/09/588952409.db2.gz WNKKEDOPEJSZKA-LURJTMIESA-N -1 1 247.751 2.389 20 0 BEADMM C[C@H]1C[C@H](C)N(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858419929 588953093 /nfs/dbraw/zinc/95/30/93/588953093.db2.gz SYKGCBXWSHJFLK-BQBZGAKWSA-N -1 1 227.695 2.070 20 0 BEADMM C[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858421955 588953226 /nfs/dbraw/zinc/95/32/26/588953226.db2.gz NFFMNDXZGUBQFD-YUMQZZPRSA-N -1 1 241.722 2.460 20 0 BEADMM C[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858421953 588953476 /nfs/dbraw/zinc/95/34/76/588953476.db2.gz NFFMNDXZGUBQFD-SFYZADRCSA-N -1 1 241.722 2.460 20 0 BEADMM C[C@@H]1[C@@H](C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858434930 588954547 /nfs/dbraw/zinc/95/45/47/588954547.db2.gz TUOVOSIZSVACIY-NKWVEPMBSA-N -1 1 227.695 2.070 20 0 BEADMM CC[C@H](CSC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858466158 588957690 /nfs/dbraw/zinc/95/76/90/588957690.db2.gz ADYLHGWUZNZNDF-ZCFIWIBFSA-N -1 1 247.751 2.389 20 0 BEADMM O=c1nc(N2CC3(C2)CCCC3)cc(Cl)[n-]1 ZINC000858490062 588960380 /nfs/dbraw/zinc/96/03/80/588960380.db2.gz ADTPIQMYQPFDIQ-UHFFFAOYSA-N -1 1 239.706 2.216 20 0 BEADMM CCN(CC1CCC1)c1cc(Cl)[n-]c(=O)n1 ZINC000858525050 588962576 /nfs/dbraw/zinc/96/25/76/588962576.db2.gz XUPFVTNDQQOOAY-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM O=c1nc(N2CCC(F)(F)CC2)cc(Cl)[n-]1 ZINC000858524085 588962664 /nfs/dbraw/zinc/96/26/64/588962664.db2.gz DMPGAZIBJZMXSI-UHFFFAOYSA-N -1 1 249.648 2.071 20 0 BEADMM CC1=C(C)CN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858525439 588962804 /nfs/dbraw/zinc/96/28/04/588962804.db2.gz WZNJPILBRHBHLA-UHFFFAOYSA-N -1 1 239.706 2.382 20 0 BEADMM CON(CC(C)(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858544270 588964293 /nfs/dbraw/zinc/96/42/93/588964293.db2.gz UDHPQKOQZVMTPH-UHFFFAOYSA-N -1 1 245.710 2.250 20 0 BEADMM CCC1(C)CN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858551079 588964657 /nfs/dbraw/zinc/96/46/57/588964657.db2.gz RVEZAYGLUKBDHF-UHFFFAOYSA-N -1 1 227.695 2.072 20 0 BEADMM CC/C=C/CNc1cc(Cl)[n-]c(=O)n1 ZINC000858560987 588966283 /nfs/dbraw/zinc/96/62/83/588966283.db2.gz VVVXSEMVIDPUAR-ONEGZZNKSA-N -1 1 213.668 2.214 20 0 BEADMM C[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CS1 ZINC000858568606 588967539 /nfs/dbraw/zinc/96/75/39/588967539.db2.gz VARLMDDRZPPDDA-PHDIDXHHSA-N -1 1 245.735 2.142 20 0 BEADMM CCC(F)(F)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858743329 588975502 /nfs/dbraw/zinc/97/55/02/588975502.db2.gz GOCNXWDFWNHORP-UHFFFAOYSA-N -1 1 237.637 2.293 20 0 BEADMM O=C(CC1COC1)Nc1ccc([O-])c(Cl)c1 ZINC000901163073 584394303 /nfs/dbraw/zinc/39/43/03/584394303.db2.gz SBLRTWBRBKGAPV-UHFFFAOYSA-N -1 1 241.674 2.021 20 0 BEADMM O=C([O-])c1ccc2c(c1)CCN(CC1(F)CC1)C2 ZINC000901669290 584477831 /nfs/dbraw/zinc/47/78/31/584477831.db2.gz OTDSPJFUXUKWAF-UHFFFAOYSA-N -1 1 249.285 2.245 20 0 BEADMM O=C([O-])c1cccc2c1CN(CC1(F)CC1)CC2 ZINC000901776100 584491912 /nfs/dbraw/zinc/49/19/12/584491912.db2.gz DGKWQYMYDVLVCB-UHFFFAOYSA-N -1 1 249.285 2.245 20 0 BEADMM COc1ccc(C[N-]c2nnc(C(F)F)o2)o1 ZINC000902075903 584520200 /nfs/dbraw/zinc/52/02/00/584520200.db2.gz NUSCOLCCAZJRLO-UHFFFAOYSA-N -1 1 245.185 2.221 20 0 BEADMM CC[C@H](C)[C@H](C(=O)[O-])N(C)Cc1ccco1 ZINC000903596459 584786030 /nfs/dbraw/zinc/78/60/30/584786030.db2.gz UXFPXUZHEOMTLA-GXSJLCMTSA-N -1 1 225.288 2.211 20 0 BEADMM C[N@@H+](CCCF)[C@H](C(=O)[O-])c1ccccc1F ZINC000903625981 584787576 /nfs/dbraw/zinc/78/75/76/584787576.db2.gz WSYKDLOLHLQSLV-NSHDSACASA-N -1 1 243.253 2.243 20 0 BEADMM CCCN1Cc2cccc(N[C@H](C)C(=O)[O-])c2C1 ZINC000737030205 585022994 /nfs/dbraw/zinc/02/29/94/585022994.db2.gz MXSWSOAURBZZAI-SNVBAGLBSA-N -1 1 248.326 2.297 20 0 BEADMM C[C@]1(c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000741730976 585117083 /nfs/dbraw/zinc/11/70/83/585117083.db2.gz MGHVXWZBLYIYFM-GXSJLCMTSA-N -1 1 243.228 2.395 20 0 BEADMM O=C(Nc1cc(Cl)[nH]n1)c1ccccc1[O-] ZINC000749553550 585203616 /nfs/dbraw/zinc/20/36/16/585203616.db2.gz QBWMEHYWKIHSQZ-UHFFFAOYSA-N -1 1 237.646 2.021 20 0 BEADMM O=C([N-]c1ccon1)c1nc(Cl)ccc1F ZINC000755746971 585305382 /nfs/dbraw/zinc/30/53/82/585305382.db2.gz LCRSCVGIIXVZST-UHFFFAOYSA-N -1 1 241.609 2.114 20 0 BEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc[nH]1 ZINC000768321042 585535671 /nfs/dbraw/zinc/53/56/71/585535671.db2.gz KQWAUMLYHDDJCV-MRVPVSSYSA-N -1 1 248.257 2.350 20 0 BEADMM O=C(NCCCF)c1c([O-])cccc1Cl ZINC000768327967 585535701 /nfs/dbraw/zinc/53/57/01/585535701.db2.gz QXIQMSOZIAUHGT-UHFFFAOYSA-N -1 1 231.654 2.135 20 0 BEADMM CC(C)(C)C(=O)C(=O)Nc1c([O-])cccc1F ZINC000770863734 585583346 /nfs/dbraw/zinc/58/33/46/585583346.db2.gz UYGOFENXBDXNLN-UHFFFAOYSA-N -1 1 239.246 2.085 20 0 BEADMM [O-]c1ccc(-c2noc(C3=COCC3)n2)cc1F ZINC000771225076 585591615 /nfs/dbraw/zinc/59/16/15/585591615.db2.gz SMASTVGUOAKOBS-UHFFFAOYSA-N -1 1 248.213 2.343 20 0 BEADMM CC(C)C([N-]C(=O)C(F)(F)F)C(C)C ZINC000771749133 585599699 /nfs/dbraw/zinc/59/96/99/585599699.db2.gz OQWHISJCNCHWGQ-UHFFFAOYSA-N -1 1 211.227 2.346 20 0 BEADMM CCCC[C@H](CC)COC(=O)c1cn[n-]n1 ZINC000805607480 585735020 /nfs/dbraw/zinc/73/50/20/585735020.db2.gz LMSHXLGPHNBIMG-VIFPVBQESA-N -1 1 225.292 2.178 20 0 BEADMM O=C(C[C@@H]1C=CCCC1)[N-]OCC(F)F 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/nfs/dbraw/zinc/75/68/99/1167756899.db2.gz RFNJXLDVDNZWCZ-QMMMGPOBSA-N -1 1 225.263 2.450 20 0 BEADMM CN(Cc1cc(Cl)ncc1[O-])CC(F)F ZINC001233041336 978419237 /nfs/dbraw/zinc/41/92/37/978419237.db2.gz VHVYHBGQRFSSIH-UHFFFAOYSA-N -1 1 236.649 2.138 20 0 BEADMM Cc1nonc1[N-]c1ccc(Cl)nc1C ZINC001250150744 980081107 /nfs/dbraw/zinc/08/11/07/980081107.db2.gz RFKOWXWTOKSHCG-UHFFFAOYSA-N -1 1 224.651 2.478 20 0 BEADMM COC(=O)c1c[n-]c(O[C@H](C)C2CCCC2)n1 ZINC001230282458 1168437382 /nfs/dbraw/zinc/43/73/82/1168437382.db2.gz VTSZEYZQGZKQPN-MRVPVSSYSA-N -1 1 238.287 2.154 20 0 BEADMM Cc1csc([N-]S(=O)(=O)C2CCC2)c1 ZINC001188104887 980595024 /nfs/dbraw/zinc/59/50/24/980595024.db2.gz MFMDEZGTFXHOJX-UHFFFAOYSA-N -1 1 231.342 2.351 20 0 BEADMM Cc1ncc(N=C2CCCCC2)c(=O)[n-]1 ZINC001175751655 1168697483 /nfs/dbraw/zinc/69/74/83/1168697483.db2.gz LCBWOQSPDJIYCT-UHFFFAOYSA-N -1 1 205.261 2.360 20 0 BEADMM O=C(Nc1ccc([O-])c(F)c1F)OCCF ZINC001194963073 982002403 /nfs/dbraw/zinc/00/24/03/982002403.db2.gz 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O=C(NC[C@]12C[C@H]1CCCC2)c1cncc([O-])c1 ZINC000693542530 958736500 /nfs/dbraw/zinc/73/65/00/958736500.db2.gz RXTZDPOOPQLERZ-RISCZKNCSA-N -1 1 246.310 2.097 20 0 BEADMM Cc1cc(Nc2ccncc2)cc(C(=O)[O-])c1 ZINC001211534858 958769639 /nfs/dbraw/zinc/76/96/39/958769639.db2.gz HCOJXMKJIRFHRG-UHFFFAOYSA-N -1 1 228.251 2.254 20 0 BEADMM O=C([O-])c1ccnc(NCCC2CCC2)c1 ZINC000229115135 960059160 /nfs/dbraw/zinc/05/91/60/960059160.db2.gz HMLOLKZXRCDSEG-UHFFFAOYSA-N -1 1 220.272 2.382 20 0 BEADMM CCOC(=O)NC(=S)[N-]c1cccc(C)c1 ZINC000169579760 960103055 /nfs/dbraw/zinc/10/30/55/960103055.db2.gz XVPITLWHIHMBNX-UHFFFAOYSA-N -1 1 238.312 2.438 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CC2(C1)CCCCC2 ZINC001141506553 961084583 /nfs/dbraw/zinc/08/45/83/961084583.db2.gz GKOHZHIGBSKIQR-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM Cc1coc(CN2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000257696811 961343172 /nfs/dbraw/zinc/34/31/72/961343172.db2.gz WJAFAIDJMVPYKX-GFCCVEGCSA-N -1 1 237.299 2.417 20 0 BEADMM COc1cc(C)cc([N-]c2nnco2)c1 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962782304 /nfs/dbraw/zinc/78/23/04/962782304.db2.gz BCHUZKVRTUUPPS-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM COc1ccc2cc([O-])c(C(=O)N(C)C)cc2c1 ZINC001154743964 962838029 /nfs/dbraw/zinc/83/80/29/962838029.db2.gz FIMKGCGWBZSRJZ-UHFFFAOYSA-N -1 1 245.278 2.256 20 0 BEADMM CC[C@@H](F)C(=O)Nc1ccc(F)cc1[O-] ZINC001161045361 964502052 /nfs/dbraw/zinc/50/20/52/964502052.db2.gz BUCPWXBRPGATKU-SSDOTTSWSA-N -1 1 215.199 2.218 20 0 BEADMM O=C([O-])c1cc(Cl)ccc1CN1CCC1 ZINC001142643077 964735095 /nfs/dbraw/zinc/73/50/95/964735095.db2.gz CVQDQLGSQRVYHD-UHFFFAOYSA-N -1 1 225.675 2.244 20 0 BEADMM Cc1[nH]nnc1NCc1cccc([O-])c1Cl ZINC001203759559 966775354 /nfs/dbraw/zinc/77/53/54/966775354.db2.gz KEABHLCIDNDXBL-UHFFFAOYSA-N -1 1 238.678 2.084 20 0 BEADMM Cc1cnc(-c2ccc([O-])c(F)c2)nc1 ZINC000715549285 967153962 /nfs/dbraw/zinc/15/39/62/967153962.db2.gz NYXRLSDGZPBPEQ-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM Cc1cnc(-c2cc([O-])cc(F)c2)nc1 ZINC000715549350 967154342 /nfs/dbraw/zinc/15/43/42/967154342.db2.gz PFCAJPUYQDXGHE-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CCOCCc1c(F)cc(F)c([O-])c1F ZINC001249942660 967184505 /nfs/dbraw/zinc/18/45/05/967184505.db2.gz NETWYFZXNSXGGZ-UHFFFAOYSA-N -1 1 220.190 2.389 20 0 BEADMM [O-]c1cc(Nc2cncnc2)c(F)c(F)c1F ZINC001249958416 967201933 /nfs/dbraw/zinc/20/19/33/967201933.db2.gz NLKDJXYZACYVKU-UHFFFAOYSA-N -1 1 241.172 2.343 20 0 BEADMM Cc1nsc([N-]c2c(O)cccc2F)n1 ZINC001249988912 967233929 /nfs/dbraw/zinc/23/39/29/967233929.db2.gz ATLCBLQLRFKFQM-UHFFFAOYSA-N -1 1 225.248 2.435 20 0 BEADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccncc1[O-] ZINC000163002472 967268230 /nfs/dbraw/zinc/26/82/30/967268230.db2.gz FDGDMSCIIRRYQS-MNOVXSKESA-N -1 1 248.326 2.343 20 0 BEADMM Cn1ncc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250019895 967276922 /nfs/dbraw/zinc/27/69/22/967276922.db2.gz KTPRVIJLUUSUOH-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM Cc1cnn(-c2c(F)ccc([O-])c2Cl)c1N ZINC001250227897 967545615 /nfs/dbraw/zinc/54/56/15/967545615.db2.gz BKCVSNHMRPQABI-UHFFFAOYSA-N -1 1 241.653 2.261 20 0 BEADMM O=C([O-])c1sccc1-c1nccc2c1CCN2 ZINC001205542447 967683809 /nfs/dbraw/zinc/68/38/09/967683809.db2.gz FNIXVPZOFSHWRC-UHFFFAOYSA-N -1 1 246.291 2.476 20 0 BEADMM Cc1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001250493653 967972482 /nfs/dbraw/zinc/97/24/82/967972482.db2.gz AGRGRYMUVPMIHA-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM CCOC(=O)c1nc2c(ccc3ncccc23)[n-]1 ZINC001250550203 968058135 /nfs/dbraw/zinc/05/81/35/968058135.db2.gz RPITUCLQLJGJGO-UHFFFAOYSA-N -1 1 241.250 2.288 20 0 BEADMM CCOC(=O)c1nc2ccc3ncccc3c2[n-]1 ZINC001250550203 968058148 /nfs/dbraw/zinc/05/81/48/968058148.db2.gz RPITUCLQLJGJGO-UHFFFAOYSA-N -1 1 241.250 2.288 20 0 BEADMM CC(C)CCn1[n-]c2c(c1=O)CC[C@@H]2C ZINC001119002220 968265314 /nfs/dbraw/zinc/26/53/14/968265314.db2.gz IDXTVPDYSSQOIM-UWVGGRQHSA-N -1 1 208.305 2.277 20 0 BEADMM Nc1ccc(-c2cc(F)c([O-])cc2F)nc1 ZINC001206754889 968458173 /nfs/dbraw/zinc/45/81/73/968458173.db2.gz AFNNKUPBCPOYCU-UHFFFAOYSA-N -1 1 222.194 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Cc1c(F)cc(C(=O)[O-])cc1Nc1ccncc1 ZINC001210005280 969757881 /nfs/dbraw/zinc/75/78/81/969757881.db2.gz LZZNVDBQICUDPP-UHFFFAOYSA-N -1 1 246.241 2.393 20 0 BEADMM COc1ccc(C(C)=O)cc1[N-]c1nnc(C)o1 ZINC001210076447 969789984 /nfs/dbraw/zinc/78/99/84/969789984.db2.gz MXLRIAYRIGERKA-UHFFFAOYSA-N -1 1 247.254 2.333 20 0 BEADMM Cn1ccc([N-]c2cc(C(F)(F)F)no2)n1 ZINC001210349074 969875649 /nfs/dbraw/zinc/87/56/49/969875649.db2.gz WGILXXCAWDVFHT-UHFFFAOYSA-N -1 1 232.165 2.171 20 0 BEADMM CCCn1nccc1Nc1ncc(F)cc1[O-] ZINC001210915304 970067203 /nfs/dbraw/zinc/06/72/03/970067203.db2.gz ZMIRQQXPRAPJRJ-UHFFFAOYSA-N -1 1 236.250 2.276 20 0 BEADMM CSc1nc(Nc2nccs2)cc(=O)[n-]1 ZINC001210989494 970101456 /nfs/dbraw/zinc/10/14/56/970101456.db2.gz JTHSSYBFRVZSJH-UHFFFAOYSA-N -1 1 240.313 2.104 20 0 BEADMM [O-]c1cc(Nc2ccncn2)cc(F)c1F ZINC001211029918 970124491 /nfs/dbraw/zinc/12/44/91/970124491.db2.gz IXQNDPFFZRRSCD-UHFFFAOYSA-N -1 1 223.182 2.204 20 0 BEADMM COc1cccc(Nc2ncc(F)cc2[O-])n1 ZINC001211298601 970222938 /nfs/dbraw/zinc/22/29/38/970222938.db2.gz RRNDTIYTYDAKOE-UHFFFAOYSA-N -1 1 235.218 2.074 20 0 BEADMM OCc1cc(F)c([N-]c2ncco2)c(F)c1 ZINC001214086144 970430482 /nfs/dbraw/zinc/43/04/82/970430482.db2.gz QHCHVOPDEZRKHN-UHFFFAOYSA-N -1 1 226.182 2.189 20 0 BEADMM [O-]c1ccc(-c2cccc3ncnn32)c(F)c1F ZINC001243343166 970483656 /nfs/dbraw/zinc/48/36/56/970483656.db2.gz XZHKDLZSVKLHCP-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cn1nncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484996 970508052 /nfs/dbraw/zinc/50/80/52/970508052.db2.gz UUKPAVYCJAIBLU-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM Cn1cnc([N-]c2c(Cl)ccc(O)c2F)n1 ZINC001214554598 970511611 /nfs/dbraw/zinc/51/16/11/970511611.db2.gz VPMXWPPOYSHIND-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM CC(C)CC[C@H](C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001256356991 970756900 /nfs/dbraw/zinc/75/69/00/970756900.db2.gz YVPMVASDQIVVFG-QMMMGPOBSA-N -1 1 249.318 2.295 20 0 BEADMM CC(C)[C@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223026634 972805153 /nfs/dbraw/zinc/80/51/53/972805153.db2.gz DKJWDPGKZDKGSL-LBPRGKRZSA-N -1 1 232.287 2.114 20 0 BEADMM CCC[C@@H](C)[C@H](OCc1nn[n-]n1)C(C)C ZINC001223027654 972809960 /nfs/dbraw/zinc/80/99/60/972809960.db2.gz REQDACLOSYKURA-MWLCHTKSSA-N -1 1 226.324 2.177 20 0 BEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nn[n-]n1 ZINC001223027718 972812109 /nfs/dbraw/zinc/81/21/09/972812109.db2.gz RTPOQGUFZLPIGG-MXWKQRLJSA-N -1 1 238.335 2.177 20 0 BEADMM C[C@@H]1CN(Cc2c(F)cc([O-])cc2F)C[C@@H]1F ZINC001144541116 972861205 /nfs/dbraw/zinc/86/12/05/972861205.db2.gz BCSUJUNBGOSNFJ-KRTXAFLBSA-N -1 1 245.244 2.460 20 0 BEADMM CCN(CCOC)Cc1c(F)cc([O-])cc1F ZINC001144541408 972862488 /nfs/dbraw/zinc/86/24/88/972862488.db2.gz FFHAJRBCKHZEPC-UHFFFAOYSA-N -1 1 245.269 2.139 20 0 BEADMM CCCC[C@H](N[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000398005245 973051211 /nfs/dbraw/zinc/05/12/11/973051211.db2.gz PXNLDRGZYAOGMX-IUCAKERBSA-N -1 1 235.274 2.407 20 0 BEADMM CC1(C)CN(c2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC001329175548 973541714 /nfs/dbraw/zinc/54/17/14/973541714.db2.gz WEBGDJDFIWHYKF-UHFFFAOYSA-N -1 1 241.722 2.460 20 0 BEADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001147655651 973710356 /nfs/dbraw/zinc/71/03/56/973710356.db2.gz ICNJHVSJTWRHHU-NSHDSACASA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CC(OCC[P@](=O)([O-])O)C[C@@H](C)C1 ZINC001224606106 973795712 /nfs/dbraw/zinc/79/57/12/973795712.db2.gz MCBJYOVIZLKWDS-IUCAKERBSA-N -1 1 236.248 2.005 20 0 BEADMM CC[C@@H](C)C[C@@H](CC)OCC[P@](=O)([O-])O ZINC001224604560 973796552 /nfs/dbraw/zinc/79/65/52/973796552.db2.gz DTQXAYVKKYLHRD-NXEZZACHSA-N -1 1 238.264 2.396 20 0 BEADMM Cc1ncccc1NC(=O)c1cccc([O-])c1F ZINC001148075083 973799644 /nfs/dbraw/zinc/79/96/44/973799644.db2.gz CXAFVMRNIWRRHA-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@H]1CCC[C@@H]1Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225761031 974673968 /nfs/dbraw/zinc/67/39/68/974673968.db2.gz KAAGBQMUCQACSS-BQBZGAKWSA-N -1 1 226.301 2.038 20 0 BEADMM C[C@@H]1CCCC[C@@H]1Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225764154 974674034 /nfs/dbraw/zinc/67/40/34/974674034.db2.gz DMPDIEGWIQOVPL-SFYZADRCSA-N -1 1 240.328 2.428 20 0 BEADMM CC[C@@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226239334 974835059 /nfs/dbraw/zinc/83/50/59/974835059.db2.gz ARCQKBBIBXSPHG-SNVBAGLBSA-N -1 1 238.287 2.198 20 0 BEADMM C[C@H](Oc1n[nH]c2ncccc12)C1=CC=C[CH]1 ZINC001226302654 974849971 /nfs/dbraw/zinc/84/99/71/974849971.db2.gz NACRTOOANFEUJA-VIFPVBQESA-N -1 1 226.259 2.426 20 0 BEADMM COc1c[n-]c(=O)nc1O[C@H]1CCC[C@@H](C)C1 ZINC001226823251 975098935 /nfs/dbraw/zinc/09/89/35/975098935.db2.gz SXIMLYPUPVMHKJ-BDAKNGLRSA-N -1 1 238.287 2.148 20 0 BEADMM O=c1[n-]cncc1O[C@H]1CCOc2ccccc21 ZINC001227050094 975236575 /nfs/dbraw/zinc/23/65/75/975236575.db2.gz ZVRVVZHFEGGYIY-NSHDSACASA-N -1 1 244.250 2.085 20 0 BEADMM C[C@@H]1CC[C@H](Oc2cnc[n-]c2=O)C[C@@H]1C ZINC001227048894 975237273 /nfs/dbraw/zinc/23/72/73/975237273.db2.gz NPHPFRBFFLAZKH-UTLUCORTSA-N -1 1 222.288 2.386 20 0 BEADMM CCCC(=O)[C@H](CCC)Oc1cnc[n-]c1=O ZINC001227049070 975238061 /nfs/dbraw/zinc/23/80/61/975238061.db2.gz PVHJZUYJDHPCLV-JTQLQIEISA-N -1 1 238.287 2.099 20 0 BEADMM COCC(=O)c1ccc([O-])cc1O[C@H]1C=CCC1 ZINC001227173542 975302787 /nfs/dbraw/zinc/30/27/87/975302787.db2.gz ZWZSNXUAIKIZFJ-NSHDSACASA-N -1 1 248.278 2.319 20 0 BEADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C=CCC1 ZINC001227173541 975303174 /nfs/dbraw/zinc/30/31/74/975303174.db2.gz ZWZSNXUAIKIZFJ-LLVKDONJSA-N -1 1 248.278 2.319 20 0 BEADMM Cc1cccc(Nc2cc(=O)[n-]c(N(C)C)n2)c1 ZINC001173807463 975698251 /nfs/dbraw/zinc/69/82/51/975698251.db2.gz RQUJIPSLDQFHKS-UHFFFAOYSA-N -1 1 244.298 2.300 20 0 BEADMM CCC[C@@H](C)Oc1cc(=O)[n-]c(SC)n1 ZINC001228091432 975900961 /nfs/dbraw/zinc/90/09/61/975900961.db2.gz ZAZIQVOJKRLZKZ-SSDOTTSWSA-N -1 1 228.317 2.472 20 0 BEADMM CSc1nc(N=C2CCCC2)cc(=O)[n-]1 ZINC001173997700 976138516 /nfs/dbraw/zinc/13/85/16/976138516.db2.gz QKDQPJXIUGTOBI-UHFFFAOYSA-N -1 1 223.301 2.384 20 0 BEADMM COc1ccc([N-]c2nnc(C)o2)c(F)c1 ZINC001174142709 976374089 /nfs/dbraw/zinc/37/40/89/976374089.db2.gz JWXXAUMMKKRIGY-UHFFFAOYSA-N -1 1 223.207 2.269 20 0 BEADMM S=c1nncc(O[C@H]2CCc3ccccc32)[n-]1 ZINC001228635727 976393804 /nfs/dbraw/zinc/39/38/04/976393804.db2.gz CGJAFTGGADTQJQ-JTQLQIEISA-N -1 1 245.307 2.227 20 0 BEADMM S=c1nc2ccccc2c(O[C@@H]2CCOC2)[n-]1 ZINC001228759896 976482955 /nfs/dbraw/zinc/48/29/55/976482955.db2.gz HEEFJIHQQVRVJT-MRVPVSSYSA-N -1 1 248.307 2.086 20 0 BEADMM Cc1c(Nc2cc([O-])c(F)c(F)c2)cnn1C ZINC001174390781 976653663 /nfs/dbraw/zinc/65/36/63/976653663.db2.gz RSEQPAQYWVQBEP-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM Cc1c(Nc2c([O-])cc(F)cc2F)cnn1C ZINC001174390439 976655307 /nfs/dbraw/zinc/65/53/07/976655307.db2.gz ZEWARAAVHMTPCB-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM COC(=O)c1c[n-]c(OC(C(C)C)C(C)C)n1 ZINC001230281818 977157306 /nfs/dbraw/zinc/15/73/06/977157306.db2.gz IFDRENUQPWFKSD-UHFFFAOYSA-N -1 1 240.303 2.256 20 0 BEADMM COC(=O)c1c[n-]c(O[C@@H](C)c2ccccc2)n1 ZINC001230280255 977160685 /nfs/dbraw/zinc/16/06/85/977160685.db2.gz PFVARMKJPWUXEL-VIFPVBQESA-N -1 1 246.266 2.336 20 0 BEADMM CSc1nc(Nc2ccc(O)cc2)cc(=O)[n-]1 ZINC001175042391 977234428 /nfs/dbraw/zinc/23/44/28/977234428.db2.gz RGUZSFBBWRFPMH-UHFFFAOYSA-N -1 1 249.295 2.353 20 0 BEADMM CSc1cccc([N-]c2nonc2N)c1 ZINC001175283964 977350030 /nfs/dbraw/zinc/35/00/30/977350030.db2.gz ZNGVHXPSDVKUMM-UHFFFAOYSA-N -1 1 222.273 2.117 20 0 BEADMM Cc1ncn(C)c1Nc1cccc(C(=O)[O-])c1 ZINC001175329413 977380267 /nfs/dbraw/zinc/38/02/67/977380267.db2.gz VKJQGCVYUGVIMC-UHFFFAOYSA-N -1 1 231.255 2.170 20 0 BEADMM Cc1nocc1C(=O)[N-]c1cnoc1C(C)C ZINC001336090451 977496100 /nfs/dbraw/zinc/49/61/00/977496100.db2.gz XXIYKFIGHYMICD-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM O=C(Nc1ccsn1)c1cccc([O-])c1F ZINC001175522525 977507669 /nfs/dbraw/zinc/50/76/69/977507669.db2.gz JLPGXROIRGCECO-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM CSc1ccc(CN[C@H](C(=O)[O-])C(C)C)o1 ZINC001594193490 977544866 /nfs/dbraw/zinc/54/48/66/977544866.db2.gz IBPVIANJFYNTDM-JTQLQIEISA-N -1 1 243.328 2.200 20 0 BEADMM CC[C@H](C)CN(C)Cc1ncc(C(=O)[O-])s1 ZINC001594960291 977893367 /nfs/dbraw/zinc/89/33/67/977893367.db2.gz AYVSXFZKHCSJCG-QMMMGPOBSA-N -1 1 242.344 2.319 20 0 BEADMM CC[C@@H](C)CN(C)Cc1ncc(C(=O)[O-])s1 ZINC001594960288 977893182 /nfs/dbraw/zinc/89/31/82/977893182.db2.gz AYVSXFZKHCSJCG-MRVPVSSYSA-N -1 1 242.344 2.319 20 0 BEADMM Cc1ncn(C)c1Nc1csc(C(=O)[O-])c1 ZINC001176435853 978065198 /nfs/dbraw/zinc/06/51/98/978065198.db2.gz ITYXKKMDKVNPFF-UHFFFAOYSA-N -1 1 237.284 2.232 20 0 BEADMM Cc1cccnc1NC(=O)c1ccc(F)c([O-])c1 ZINC001596040460 978169330 /nfs/dbraw/zinc/16/93/30/978169330.db2.gz XXZLCOLFLHBPJK-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Cc1noc([N-][C@@H]2COCc3ccccc32)n1 ZINC001337189209 978205387 /nfs/dbraw/zinc/20/53/87/978205387.db2.gz CTYRBNREGHFYJB-LLVKDONJSA-N -1 1 231.255 2.061 20 0 BEADMM [O-]c1cccc(CN2C[C@H]3C[C@@H](C2)O3)c1Cl ZINC001232788424 978277576 /nfs/dbraw/zinc/27/75/76/978277576.db2.gz ULRAVYJZKZVJGM-AOOOYVTPSA-N -1 1 239.702 2.019 20 0 BEADMM CC/C=C(/C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001337531164 978394811 /nfs/dbraw/zinc/39/48/11/978394811.db2.gz ULCORRSXUBCWFU-YVMONPNESA-N -1 1 246.270 2.360 20 0 BEADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]1CF ZINC001233041062 978421822 /nfs/dbraw/zinc/42/18/22/978421822.db2.gz QKDMMXONEWSTNL-SECBINFHSA-N -1 1 244.697 2.375 20 0 BEADMM Cc1c(Cl)cccc1CN1CC(C(=O)[O-])C1 ZINC001600016953 978663802 /nfs/dbraw/zinc/66/38/02/978663802.db2.gz XMJVCGIQASYOAD-UHFFFAOYSA-N -1 1 239.702 2.165 20 0 BEADMM Cc1cc(Cl)cc(CN[C@@H](CF)C(=O)[O-])c1 ZINC001600219081 978680970 /nfs/dbraw/zinc/68/09/70/978680970.db2.gz OPVRSDBBPZYIGT-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM CCOCCc1cc(F)c([O-])c(F)c1 ZINC001249943743 978745516 /nfs/dbraw/zinc/74/55/16/978745516.db2.gz PUJITSKPNGFDCK-UHFFFAOYSA-N -1 1 202.200 2.249 20 0 BEADMM O=C([O-])/C=C\c1ccc(CN2CC3(CCC3)C2)o1 ZINC001601880389 978861452 /nfs/dbraw/zinc/86/14/52/978861452.db2.gz XPEPXKLNYKVCTF-PLNGDYQASA-N -1 1 247.294 2.363 20 0 BEADMM CCN(CC)C(=O)Cc1cc(F)c([O-])c(F)c1 ZINC001250011472 979131815 /nfs/dbraw/zinc/13/18/15/979131815.db2.gz IGEBXBVWRAIUCQ-UHFFFAOYSA-N -1 1 243.253 2.081 20 0 BEADMM C/C=C/CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603963249 979545316 /nfs/dbraw/zinc/54/53/16/979545316.db2.gz MQMQBXCYCHNCSE-NSCUHMNNSA-N -1 1 236.300 2.269 20 0 BEADMM C/C=C/CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603963249 979545323 /nfs/dbraw/zinc/54/53/23/979545323.db2.gz MQMQBXCYCHNCSE-NSCUHMNNSA-N -1 1 236.300 2.269 20 0 BEADMM C/C=C\CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603963248 979547985 /nfs/dbraw/zinc/54/79/85/979547985.db2.gz MQMQBXCYCHNCSE-IHWYPQMZSA-N -1 1 236.300 2.269 20 0 BEADMM C/C=C\CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603963248 979547991 /nfs/dbraw/zinc/54/79/91/979547991.db2.gz MQMQBXCYCHNCSE-IHWYPQMZSA-N -1 1 236.300 2.269 20 0 BEADMM COc1cc(-c2c(F)ccc(C)c2[O-])ncn1 ZINC001236394628 979578255 /nfs/dbraw/zinc/57/82/55/979578255.db2.gz YVNGRXCTQTWMMN-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM [O-]c1ccc(C[C@@H]2CCCO2)c(F)c1F ZINC001250106265 979778571 /nfs/dbraw/zinc/77/85/71/979778571.db2.gz SQBZRAOHPSGSEF-QMMMGPOBSA-N -1 1 214.211 2.392 20 0 BEADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001183562656 979845401 /nfs/dbraw/zinc/84/54/01/979845401.db2.gz MLMDNWOSYNYNLI-BDAKNGLRSA-N -1 1 237.303 2.270 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001183563051 979847124 /nfs/dbraw/zinc/84/71/24/979847124.db2.gz PYVJJIQRLIGXIB-JZYVYDRUSA-N -1 1 249.314 2.270 20 0 BEADMM CCN(Cc1ncc(C(=O)[O-])s1)C1CCC1 ZINC001605463215 979879334 /nfs/dbraw/zinc/87/93/34/979879334.db2.gz MTGBZDHCVQGJKO-UHFFFAOYSA-N -1 1 240.328 2.216 20 0 BEADMM CCn1nccc1Nc1ccnc(Cl)c1[O-] ZINC001205289555 979945404 /nfs/dbraw/zinc/94/54/04/979945404.db2.gz YWCBUUOJRMHIKV-UHFFFAOYSA-N -1 1 238.678 2.401 20 0 BEADMM CCC(F)(F)CN[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]12 ZINC001595225661 980073974 /nfs/dbraw/zinc/07/39/74/980073974.db2.gz OEDPQFPLFRXBNY-SGIHWFKDSA-N -1 1 247.285 2.121 20 0 BEADMM c1cn(CC2CCCCCC2)c(-c2nnn[n-]2)n1 ZINC001607132900 980088677 /nfs/dbraw/zinc/08/86/77/980088677.db2.gz HFWHYMKUDRROOL-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM c1cn(CC2CCCCCC2)c(-c2nn[n-]n2)n1 ZINC001607132900 980088688 /nfs/dbraw/zinc/08/86/88/980088688.db2.gz HFWHYMKUDRROOL-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM CC[C@@H](N[C@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595281588 980335964 /nfs/dbraw/zinc/33/59/64/980335964.db2.gz QZADLBHZFCYXFH-RKDXNWHRSA-N -1 1 242.344 2.355 20 0 BEADMM c1nocc1[N-]c1cc(-c2ccncc2)no1 ZINC001203232769 980349521 /nfs/dbraw/zinc/34/95/21/980349521.db2.gz JGDXZKQQQYYFBZ-UHFFFAOYSA-N -1 1 228.211 2.468 20 0 BEADMM O=C(NCC1CC1)Nc1ccc([O-])c(F)c1F ZINC001186611288 980413912 /nfs/dbraw/zinc/41/39/12/980413912.db2.gz JXYJHKSWTORKDO-UHFFFAOYSA-N -1 1 242.225 2.202 20 0 BEADMM Cc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001239504554 980672217 /nfs/dbraw/zinc/67/22/17/980672217.db2.gz UKOOZUQIWVVXPX-UHFFFAOYSA-N -1 1 248.218 2.465 20 0 BEADMM Cc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001239504554 980672220 /nfs/dbraw/zinc/67/22/20/980672220.db2.gz UKOOZUQIWVVXPX-UHFFFAOYSA-N -1 1 248.218 2.465 20 0 BEADMM [O-]c1cc(Cc2ncccn2)ccc1Cl ZINC001250344624 980817013 /nfs/dbraw/zinc/81/70/13/980817013.db2.gz NDJOANGLRBWFAR-UHFFFAOYSA-N -1 1 220.659 2.426 20 0 BEADMM Cc1noc(Cc2cccc(Cl)c2[O-])n1 ZINC001250356461 980855830 /nfs/dbraw/zinc/85/58/30/980855830.db2.gz AGUKWIQUMOJTJK-UHFFFAOYSA-N -1 1 224.647 2.328 20 0 BEADMM O=S(=O)(CC1CCCC1)[N-]c1ccccn1 ZINC001191477540 981039601 /nfs/dbraw/zinc/03/96/01/981039601.db2.gz YEQXOXMQOPNJEY-UHFFFAOYSA-N -1 1 240.328 2.014 20 0 BEADMM O=C(Nc1ccc[nH]1)c1c(F)ccc([O-])c1F ZINC001192523924 981165875 /nfs/dbraw/zinc/16/58/75/981165875.db2.gz HOYKLDASJLBOFY-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM CN(C[Si](C)(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC001348311539 981332033 /nfs/dbraw/zinc/33/20/33/981332033.db2.gz KRLJDHGYLKNCCB-UHFFFAOYSA-N -1 1 245.786 2.149 20 0 BEADMM COC(=O)Nc1cccc([O-])c1Cl ZINC001193910597 981510639 /nfs/dbraw/zinc/51/06/39/981510639.db2.gz JHXGZWFCGYVREB-UHFFFAOYSA-N -1 1 201.609 2.224 20 0 BEADMM COc1cc(C)c(-c2cc(F)ccc2[O-])nn1 ZINC001240694535 981590603 /nfs/dbraw/zinc/59/06/03/981590603.db2.gz XATGJOOULVTYHU-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM COCc1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240693155 981597934 /nfs/dbraw/zinc/59/79/34/981597934.db2.gz DHZFLASNXNRFAN-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM [O-]c1ccc(F)cc1-c1cnc2cc[nH]c2n1 ZINC001240694398 981599671 /nfs/dbraw/zinc/59/96/71/981599671.db2.gz RBJVTVDMJXNDPV-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM Cc1cnc(-c2cc(F)ccc2[O-])c(N)c1 ZINC001240694247 981599890 /nfs/dbraw/zinc/59/98/90/981599890.db2.gz SLUUZGNDVYOQBU-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM COc1ncc(F)c(-c2cc(F)ccc2[O-])n1 ZINC001240693795 981601815 /nfs/dbraw/zinc/60/18/15/981601815.db2.gz ZARUDXYQLLIEEP-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM [O-]c1ccc(F)cc1-c1ncnc2c1COCC2 ZINC001240694064 981602426 /nfs/dbraw/zinc/60/24/26/981602426.db2.gz OLUHBBFOITVTHO-UHFFFAOYSA-N -1 1 246.241 2.061 20 0 BEADMM Cc1cncnc1-c1cc(F)ccc1[O-] ZINC001240694397 981602749 /nfs/dbraw/zinc/60/27/49/981602749.db2.gz RAXUKLKLNAHJKY-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM Nc1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240694870 981603441 /nfs/dbraw/zinc/60/34/41/981603441.db2.gz YWRXFWWGCUZPNA-UHFFFAOYSA-N -1 1 204.204 2.176 20 0 BEADMM Cc1nc(-c2cc(F)ccc2[O-])cc(N(C)C)n1 ZINC001240694862 981604318 /nfs/dbraw/zinc/60/43/18/981604318.db2.gz YPEDXLIMSOXBML-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM COCc1nc(C)cc(-c2cc(F)ccc2[O-])n1 ZINC001240695779 981604827 /nfs/dbraw/zinc/60/48/27/981604827.db2.gz RMKYIFPAKKYAPO-UHFFFAOYSA-N -1 1 248.257 2.443 20 0 BEADMM CCCC[C@H](C(=O)[O-])N1Cc2cccnc2C1 ZINC001595630082 981813550 /nfs/dbraw/zinc/81/35/50/981813550.db2.gz VDWGZCBRHKYDLD-GFCCVEGCSA-N -1 1 234.299 2.041 20 0 BEADMM O=C1Cc2ccnc(-c3ccc([O-])c(F)c3)c2N1 ZINC001240782204 981818620 /nfs/dbraw/zinc/81/86/20/981818620.db2.gz UILYVMKAHGUKSP-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM COc1nnc(-c2ccc([O-])c(F)c2)cc1C ZINC001240781581 981819404 /nfs/dbraw/zinc/81/94/04/981819404.db2.gz BFEJFNKDLLSIEO-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM COc1cnc(C)nc1-c1ccc([O-])c(F)c1 ZINC001240782509 981819990 /nfs/dbraw/zinc/81/99/90/981819990.db2.gz FRUKAXRNPDRRKY-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM CC[C@@H](C)CCNC(=O)c1ncc(C)cc1[O-] ZINC001583982077 981848875 /nfs/dbraw/zinc/84/88/75/981848875.db2.gz WDJPXFJUWZTFCD-SECBINFHSA-N -1 1 236.315 2.262 20 0 BEADMM Cc1nocc1[N-]C(=O)c1ccc(F)s1 ZINC001585127253 981907478 /nfs/dbraw/zinc/90/74/78/981907478.db2.gz RRHRWDAKYLPXNR-UHFFFAOYSA-N -1 1 226.232 2.436 20 0 BEADMM C[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001585571943 981935568 /nfs/dbraw/zinc/93/55/68/981935568.db2.gz IDIILRZKLUGKRB-PSASIEDQSA-N -1 1 237.274 2.450 20 0 BEADMM Cc1cnc(C(=O)N[C@@H]2CCCC23CC3)c([O-])c1 ZINC001586840818 982029194 /nfs/dbraw/zinc/02/91/94/982029194.db2.gz CVQLFWLWVDLZBJ-LLVKDONJSA-N -1 1 246.310 2.158 20 0 BEADMM COc1nccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241116679 982231466 /nfs/dbraw/zinc/23/14/66/982231466.db2.gz FYISRESADQPENE-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Cc1nccnc1-c1c(F)cc([O-])cc1F ZINC001241117740 982234104 /nfs/dbraw/zinc/23/41/04/982234104.db2.gz XIBWKDNCAJUHAQ-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM [O-]c1cc(F)c(-c2cncc3nnoc32)c(F)c1 ZINC001241124818 982248672 /nfs/dbraw/zinc/24/86/72/982248672.db2.gz OFNRQOSYSPNXDD-UHFFFAOYSA-N -1 1 249.176 2.269 20 0 BEADMM Nc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241121751 982250307 /nfs/dbraw/zinc/25/03/07/982250307.db2.gz FNKBDYMVABNNQL-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001594883617 982254377 /nfs/dbraw/zinc/25/43/77/982254377.db2.gz UFJYMQPSRNPVQF-YIZRAAEISA-N -1 1 240.303 2.458 20 0 BEADMM [O-]c1cc(F)cc(-c2ncc3c(n2)CCCN3)c1 ZINC001241255747 982391390 /nfs/dbraw/zinc/39/13/90/982391390.db2.gz BTWBZIDMGWCTLT-UHFFFAOYSA-N -1 1 245.257 2.346 20 0 BEADMM O=c1cc(N=C2CCSCC2)nc(Cl)[n-]1 ZINC001201333288 983190075 /nfs/dbraw/zinc/19/00/75/983190075.db2.gz WSGZBRALUSXSFV-UHFFFAOYSA-N -1 1 243.719 2.268 20 0 BEADMM [O-]c1c(F)cc(F)cc1NC(=S)NC1CC1 ZINC001200632375 983282811 /nfs/dbraw/zinc/28/28/11/983282811.db2.gz XVZKULDSTRTNPJ-UHFFFAOYSA-N -1 1 244.266 2.119 20 0 BEADMM CCc1ncoc1C(=O)[N-]c1c(C)noc1C ZINC001354476358 983313022 /nfs/dbraw/zinc/31/30/22/983313022.db2.gz XSCYLLFPPYGNHY-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM [O-]c1ccc(-c2cnnnc2)cc1C(F)(F)F ZINC001242163120 983385662 /nfs/dbraw/zinc/38/56/62/983385662.db2.gz YRVCYUVXFMLPIX-UHFFFAOYSA-N -1 1 241.172 2.263 20 0 BEADMM CC(C)n1cc(-c2ccc(F)cc2[O-])ncc1=O ZINC001242219779 983425732 /nfs/dbraw/zinc/42/57/32/983425732.db2.gz QLPYFUOLVHMWIE-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM Cc1cccc(-c2nc3[nH]cnc3c(C)n2)c1[O-] ZINC001242344421 983596956 /nfs/dbraw/zinc/59/69/56/983596956.db2.gz VVIHLYIZABMPER-UHFFFAOYSA-N -1 1 240.266 2.294 20 0 BEADMM COc1cc(C)nc(-c2cccc(C)c2[O-])n1 ZINC001242344317 983599485 /nfs/dbraw/zinc/59/94/85/983599485.db2.gz UAKQVIVBFRKPMZ-UHFFFAOYSA-N -1 1 230.267 2.475 20 0 BEADMM Cc1cccc(-c2nnc(C)c(C)n2)c1[O-] ZINC001242345650 983602697 /nfs/dbraw/zinc/60/26/97/983602697.db2.gz WPNDNODRLTXIPK-UHFFFAOYSA-N -1 1 215.256 2.169 20 0 BEADMM CCN(CC1CC1)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001596294080 983714846 /nfs/dbraw/zinc/71/48/46/983714846.db2.gz FCPYGKJLSHMNCM-QMMMGPOBSA-N -1 1 238.287 2.166 20 0 BEADMM CCN(Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001596380690 983904333 /nfs/dbraw/zinc/90/43/33/983904333.db2.gz VASNPIQPAALYEC-UHFFFAOYSA-N -1 1 228.317 2.072 20 0 BEADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])cn1 ZINC001569219336 984022275 /nfs/dbraw/zinc/02/22/75/984022275.db2.gz VOWZBRRFKAXIFB-WDEREUQCSA-N -1 1 248.326 2.343 20 0 BEADMM CCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001596421671 984058296 /nfs/dbraw/zinc/05/82/96/984058296.db2.gz OGBVHWXVNPTJTA-MRVPVSSYSA-N -1 1 240.328 2.307 20 0 BEADMM [O-]c1cccc(-c2cnc3ncnn3c2)c1Cl ZINC001242800482 984169232 /nfs/dbraw/zinc/16/92/32/984169232.db2.gz IVSMMBSFOBRGLA-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM NC(=O)c1ccncc1-c1cccc([O-])c1Cl ZINC001242801253 984175794 /nfs/dbraw/zinc/17/57/94/984175794.db2.gz ZZRWVKQTYCTGPU-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CC(C)C2)c1 ZINC001137213422 984177606 /nfs/dbraw/zinc/17/76/06/984177606.db2.gz CCXURRZVKQFCMB-UHFFFAOYSA-N -1 1 247.294 2.041 20 0 BEADMM [O-]c1cc(-c2ncc3cc[nH]c3n2)ccc1F ZINC001243048691 984396371 /nfs/dbraw/zinc/39/63/71/984396371.db2.gz NHGQYCIFOFBVMC-UHFFFAOYSA-N -1 1 229.214 2.421 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1F ZINC001440475832 984418707 /nfs/dbraw/zinc/41/87/07/984418707.db2.gz DAEAQACURLMTCL-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Cc1nc(-c2ccc(F)c([O-])c2)ncc1F ZINC001243055041 984421224 /nfs/dbraw/zinc/42/12/24/984421224.db2.gz ZSLQCWQSGPPSGL-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cn2)[C@H](C)C1 ZINC001444098884 984546379 /nfs/dbraw/zinc/54/63/79/984546379.db2.gz CMGGXKRHFFLLIS-CKYFFXLPSA-N -1 1 248.326 2.342 20 0 BEADMM [O-]c1ccc(-c2cccc3nncn32)c(F)c1F ZINC001243342220 984831384 /nfs/dbraw/zinc/83/13/84/984831384.db2.gz FYIODPQNNFMKPW-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM [O-]c1ccc(-c2ccnnc2)c(F)c1F ZINC001243342563 984832306 /nfs/dbraw/zinc/83/23/06/984832306.db2.gz IOZUHEKHELEFBA-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM Cn1ccc(-c2ccc([O-])c(F)c2F)cc1=O ZINC001243342509 984832838 /nfs/dbraw/zinc/83/28/38/984832838.db2.gz PLEHBUJNRUPHPY-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM CCC1(C)CN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001450073872 984859891 /nfs/dbraw/zinc/85/98/91/984859891.db2.gz KRMHCOJINVUXSO-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CC(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001454281435 985027999 /nfs/dbraw/zinc/02/79/99/985027999.db2.gz RANYKNKXJBGBNU-UHFFFAOYSA-N -1 1 245.282 2.172 20 0 BEADMM O=C(NC[C@H]1C=CCC1)c1cccc([O-])c1F ZINC001455221463 985066751 /nfs/dbraw/zinc/06/67/51/985066751.db2.gz CFEAAOFMVUHNHD-VIFPVBQESA-N -1 1 235.258 2.227 20 0 BEADMM NC(=O)c1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243580389 985139862 /nfs/dbraw/zinc/13/98/62/985139862.db2.gz BSWRKYKWPFANEK-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM CC[C@@H](NC1CCC(C(=O)[O-])CC1)C(F)F ZINC001589568614 985263986 /nfs/dbraw/zinc/26/39/86/985263986.db2.gz NKRCGULWIVIRQF-AMDVSUOASA-N -1 1 235.274 2.263 20 0 BEADMM [O-]c1cccc(Cl)c1-c1ncc2c(n1)CNC2 ZINC001244031266 985767979 /nfs/dbraw/zinc/76/79/79/985767979.db2.gz QVXPQPPSGRPHEM-UHFFFAOYSA-N -1 1 247.685 2.106 20 0 BEADMM Nc1cnc(-c2c([O-])cccc2Cl)cn1 ZINC001244049550 985783840 /nfs/dbraw/zinc/78/38/40/985783840.db2.gz DEWAUEVIKLYHIF-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM [O-]c1ccc(Cl)c(-c2cnnnc2)c1F ZINC001244543740 986241569 /nfs/dbraw/zinc/24/15/69/986241569.db2.gz USESNTUARNAGIY-UHFFFAOYSA-N -1 1 225.610 2.037 20 0 BEADMM C[C@@H](CF)NCc1ccc([O-])c(F)c1F ZINC001462284023 986342521 /nfs/dbraw/zinc/34/25/21/986342521.db2.gz KKHACSZUYUHWJS-LURJTMIESA-N -1 1 219.206 2.118 20 0 BEADMM CCCNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001244896159 986426321 /nfs/dbraw/zinc/42/63/21/986426321.db2.gz SUALGFOPXBGPJP-UHFFFAOYSA-N -1 1 246.282 2.367 20 0 BEADMM CCCc1nnc(-c2ccc(O)cc2[O-])o1 ZINC001253938533 986453681 /nfs/dbraw/zinc/45/36/81/986453681.db2.gz KWVLDXGSRPBSDI-UHFFFAOYSA-N -1 1 220.228 2.100 20 0 BEADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001464989476 986672933 /nfs/dbraw/zinc/67/29/33/986672933.db2.gz VCKIECBNRGNVSC-KWQFWETISA-N -1 1 237.274 2.450 20 0 BEADMM CCN(CC1CC1)C(=O)c1ccc(F)c([O-])c1 ZINC001465008681 986682263 /nfs/dbraw/zinc/68/22/63/986682263.db2.gz FWYDRCPTXWDOBM-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001465373580 986713210 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/nfs/dbraw/zinc/03/41/73/343034173.db2.gz OCEYWGNHZNWQTA-NXEZZACHSA-N -1 1 238.356 2.270 20 0 BEADMM O=c1c2c([n-]n1C[C@@H]1CCSC1)CCCC2 ZINC000634628621 343036107 /nfs/dbraw/zinc/03/61/07/343036107.db2.gz BMEJSZSUIBIUCD-VHSXEESVSA-N -1 1 238.356 2.128 20 0 BEADMM CCc1c(C)[n-]n([C@H](C)c2ccncc2)c1=O ZINC000634627293 343037100 /nfs/dbraw/zinc/03/71/00/343037100.db2.gz ZLZWDPXQELVRQN-PWSUYJOCSA-N -1 1 231.299 2.387 20 0 BEADMM Cc1[nH]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634633483 343044207 /nfs/dbraw/zinc/04/42/07/343044207.db2.gz XNSYCEMSIGKOFB-ZETCQYMHSA-N -1 1 246.266 2.052 20 0 BEADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])cn1 ZINC001638511701 1172024279 /nfs/dbraw/zinc/02/42/79/1172024279.db2.gz PEKSAWKTCHPZOR-HZMBPMFUSA-N -1 1 248.326 2.486 20 0 BEADMM CCC1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000335696693 136327280 /nfs/dbraw/zinc/32/72/80/136327280.db2.gz VCADOCVPQAXWHQ-UHFFFAOYSA-N -1 1 248.326 2.358 20 0 BEADMM CSCc1nc(-c2ccc([O-])cc2F)no1 ZINC000335685879 136330167 /nfs/dbraw/zinc/33/01/67/136330167.db2.gz CTORVPAZAOMJAO-UHFFFAOYSA-N -1 1 240.259 2.444 20 0 BEADMM CC1(C)C[C@]1(C)NC(=O)c1c([O-])cccc1F ZINC000620076094 343634824 /nfs/dbraw/zinc/63/48/24/343634824.db2.gz JIVMGSHHQMLLAF-ZDUSSCGKSA-N -1 1 237.274 2.450 20 0 BEADMM Cc1cccc([C@@H](C)C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001638735531 1172040171 /nfs/dbraw/zinc/04/01/71/1172040171.db2.gz MGLBVLBKJPQIEK-SECBINFHSA-N -1 1 245.282 2.166 20 0 BEADMM Cc1cc(NC(=O)c2ccccc2[O-])sn1 ZINC000130285977 344129630 /nfs/dbraw/zinc/12/96/30/344129630.db2.gz FDKLFSCTPCRLQU-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM Cc1cnc(S[C@@H]2CCCCC2=O)[n-]c1=O ZINC000309395110 347046323 /nfs/dbraw/zinc/04/63/23/347046323.db2.gz SSLBTPKTAVCQKD-SECBINFHSA-N -1 1 238.312 2.094 20 0 BEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000176212373 344381131 /nfs/dbraw/zinc/38/11/31/344381131.db2.gz OMCNGJLSSDBYMO-GHMZBOCLSA-N -1 1 246.310 2.049 20 0 BEADMM CC1(C)CC(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000395519118 344401022 /nfs/dbraw/zinc/40/10/22/344401022.db2.gz LTKKSAWEASNJTH-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM c1ccc(CCCSCc2nn[n-]n2)cc1 ZINC000095168551 345682358 /nfs/dbraw/zinc/68/23/58/345682358.db2.gz IDBTYTRAMMIBGG-UHFFFAOYSA-N -1 1 234.328 2.066 20 0 BEADMM CC[C@H](C)[C@H](NCC(F)(F)CC)C(=O)[O-] ZINC000641795297 362737026 /nfs/dbraw/zinc/73/70/26/362737026.db2.gz WQVCWUDAUOVPCS-YUMQZZPRSA-N -1 1 223.263 2.121 20 0 BEADMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008447385 346677590 /nfs/dbraw/zinc/67/75/90/346677590.db2.gz IVMQIUNOPZRAPT-SSDOTTSWSA-N -1 1 249.282 2.042 20 0 BEADMM Cc1cccc(O)c1NC(=O)c1cncc([O-])c1 ZINC000340007307 179161861 /nfs/dbraw/zinc/16/18/61/179161861.db2.gz MXUQNOIXMJXKAZ-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM Cc1cccc(S([O-])=CC(=O)c2ccc[nH]2)c1 ZINC000108099745 179207321 /nfs/dbraw/zinc/20/73/21/179207321.db2.gz MUGRGDZYDZKKAL-QGZVFWFLSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1cccc([S@@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000108099745 179207324 /nfs/dbraw/zinc/20/73/24/179207324.db2.gz MUGRGDZYDZKKAL-QGZVFWFLSA-N -1 1 247.319 2.314 20 0 BEADMM CCN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000037023356 348016055 /nfs/dbraw/zinc/01/60/55/348016055.db2.gz FWRSSGIEWXYIBY-UHFFFAOYSA-N -1 1 213.664 2.138 20 0 BEADMM Cc1ccoc1CN[C@@H](CC(C)C)C(=O)[O-] ZINC000229477380 179528633 /nfs/dbraw/zinc/52/86/33/179528633.db2.gz CJZYWTCDFASDPK-JTQLQIEISA-N -1 1 225.288 2.177 20 0 BEADMM Cc1nc(SC[C@@H]2CCCO2)[n-]c(=O)c1C ZINC000340709466 180031902 /nfs/dbraw/zinc/03/19/02/180031902.db2.gz UIJGLWBGEZOCLQ-VIFPVBQESA-N -1 1 240.328 2.070 20 0 BEADMM CC(=O)CCCCSc1ncc(C)c(=O)[n-]1 ZINC000309258518 350243332 /nfs/dbraw/zinc/24/33/32/350243332.db2.gz BJTXEHDSQHTXQO-UHFFFAOYSA-N -1 1 240.328 2.342 20 0 BEADMM C[C@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000162938470 350472795 /nfs/dbraw/zinc/47/27/95/350472795.db2.gz WZZNBRIVXKRASB-IUCAKERBSA-N -1 1 237.274 2.402 20 0 BEADMM CCc1cc([N-]C(=O)c2cc(C(C)C)no2)no1 ZINC000606887220 350619552 /nfs/dbraw/zinc/61/95/52/350619552.db2.gz JWBAYJYCMAAWDW-UHFFFAOYSA-N -1 1 249.270 2.023 20 0 BEADMM O=C(Nc1c([O-])cccc1F)C12CC(C1)C2 ZINC000626277610 350778710 /nfs/dbraw/zinc/77/87/10/350778710.db2.gz GMKANYOHRGFUKQ-UHFFFAOYSA-N -1 1 221.231 2.270 20 0 BEADMM CC[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000306767208 350996451 /nfs/dbraw/zinc/99/64/51/350996451.db2.gz OSIMDDKHDOMQML-NKWVEPMBSA-N -1 1 209.211 2.244 20 0 BEADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000335017555 187493764 /nfs/dbraw/zinc/49/37/64/187493764.db2.gz IBQAISLATXKMME-UHFFFAOYSA-N -1 1 227.210 2.409 20 0 BEADMM CC(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000280852267 351863541 /nfs/dbraw/zinc/86/35/41/351863541.db2.gz WVBUVMGBADCHBQ-UHFFFAOYSA-N -1 1 229.226 2.056 20 0 BEADMM CC(C)(C)c1cc(C(=O)[N-]c2cnoc2)no1 ZINC000607816047 351997431 /nfs/dbraw/zinc/99/74/31/351997431.db2.gz QXIFTSVLCOMASJ-UHFFFAOYSA-N -1 1 235.243 2.212 20 0 BEADMM CCON(C(=O)c1ccc(F)c([O-])c1)C(C)C ZINC001640056220 1172151580 /nfs/dbraw/zinc/15/15/80/1172151580.db2.gz YACFGUYMGBVBIY-UHFFFAOYSA-N -1 1 241.262 2.333 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CC(C2CCCC2)C1 ZINC001640115335 1172154388 /nfs/dbraw/zinc/15/43/88/1172154388.db2.gz GLKZKCSUBNUOPW-UHFFFAOYSA-N -1 1 246.310 2.049 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CCCCCO1 ZINC000334214233 352812628 /nfs/dbraw/zinc/81/26/28/352812628.db2.gz QCEABKNJAHOLNN-UHFFFAOYSA-N -1 1 239.246 2.089 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000334198617 352790560 /nfs/dbraw/zinc/79/05/60/352790560.db2.gz MXDQQMVMZCNQHU-BQBZGAKWSA-N -1 1 245.200 2.371 20 0 BEADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CC(C)(C)C1 ZINC000334208565 352804620 /nfs/dbraw/zinc/80/46/20/352804620.db2.gz CKYQODMKSGWFIO-JTQLQIEISA-N -1 1 248.326 2.295 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1cccnc1 ZINC000334230529 352848215 /nfs/dbraw/zinc/84/82/15/352848215.db2.gz SCGRSUFNUFMFNH-UHFFFAOYSA-N -1 1 232.214 2.179 20 0 BEADMM O=C(NCCCC1CC1)c1cccc([O-])c1F ZINC001640235113 1172159712 /nfs/dbraw/zinc/15/97/12/1172159712.db2.gz SWEXFWLOSBQPPW-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CC(C)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181049183 188168365 /nfs/dbraw/zinc/16/83/65/188168365.db2.gz LBVFVNCMKIWWGO-QMMMGPOBSA-N -1 1 225.263 2.306 20 0 BEADMM CC(C)[C@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000292030159 188212030 /nfs/dbraw/zinc/21/20/30/188212030.db2.gz CQKHUKFOQMZKFI-JTQLQIEISA-N -1 1 243.690 2.001 20 0 BEADMM Cc1ccoc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000334585596 354209125 /nfs/dbraw/zinc/20/91/25/354209125.db2.gz SMILDAVDDHGABC-JQWIXIFHSA-N -1 1 237.299 2.273 20 0 BEADMM CC[C@@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000334768635 354589489 /nfs/dbraw/zinc/58/94/89/354589489.db2.gz XBYROWOEIXODRL-LLVKDONJSA-N -1 1 248.326 2.358 20 0 BEADMM C[C@@]1(C(=O)Nc2ccc(F)cc2[O-])C[C@H]1F ZINC000335106100 354690299 /nfs/dbraw/zinc/69/02/99/354690299.db2.gz CWPSEEUCVBTCLZ-MWLCHTKSSA-N -1 1 227.210 2.218 20 0 BEADMM Cc1cnc(C(=O)N2CC(C(C)(C)C)C2)c([O-])c1 ZINC000335112490 354699391 /nfs/dbraw/zinc/69/93/91/354699391.db2.gz PGVBBCNHWYKNLE-UHFFFAOYSA-N -1 1 248.326 2.214 20 0 BEADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc[nH]c1 ZINC001640613502 1172181379 /nfs/dbraw/zinc/18/13/79/1172181379.db2.gz VZNYMCJPPUNKPT-UHFFFAOYSA-N -1 1 238.193 2.251 20 0 BEADMM C[C@@H]1CC(C)(C)CN1C(=O)c1cncc([O-])c1 ZINC000335225017 355066458 /nfs/dbraw/zinc/06/64/58/355066458.db2.gz NSQWTABRHIUAJW-SECBINFHSA-N -1 1 234.299 2.048 20 0 BEADMM O=C(NC[C@H]1CC12CC2)c1ccc([O-])cc1F ZINC000335187742 355087404 /nfs/dbraw/zinc/08/74/04/355087404.db2.gz CFNKAUZTUUKMML-MRVPVSSYSA-N -1 1 235.258 2.061 20 0 BEADMM CC[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000336406105 356363352 /nfs/dbraw/zinc/36/33/52/356363352.db2.gz KYRZEUULFNGQHP-SNVBAGLBSA-N -1 1 234.299 2.110 20 0 BEADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001641026410 1172212788 /nfs/dbraw/zinc/21/27/88/1172212788.db2.gz CATUZJCPDFAPIT-SCZZXKLOSA-N -1 1 237.274 2.307 20 0 BEADMM Cc1cccc2nc(-c3ccon3)[n-]c(=O)c12 ZINC000347111930 538567409 /nfs/dbraw/zinc/56/74/09/538567409.db2.gz QKKXKQVQVNUPMF-UHFFFAOYSA-N -1 1 227.223 2.299 20 0 BEADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000042582592 358527621 /nfs/dbraw/zinc/52/76/21/358527621.db2.gz IPBPYJRYAGUHNG-WDEREUQCSA-N -1 1 248.326 2.486 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000070115703 359041896 /nfs/dbraw/zinc/04/18/96/359041896.db2.gz OXFCUZGWPDPVBP-GMTAPVOTSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(c1cncc([O-])c1)N(CC1CC1)CC1CC1 ZINC000070505963 359058095 /nfs/dbraw/zinc/05/80/95/359058095.db2.gz HRWXTZAMXKRCRD-UHFFFAOYSA-N -1 1 246.310 2.049 20 0 BEADMM CC1(C)CC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000287379587 359492470 /nfs/dbraw/zinc/49/24/70/359492470.db2.gz XRWUUEMNCRPFJM-LLVKDONJSA-N -1 1 237.274 2.450 20 0 BEADMM c1ccc2nc(SCc3nn[n-]n3)ccc2c1 ZINC000095250988 360334404 /nfs/dbraw/zinc/33/44/04/360334404.db2.gz RXAPKBHKYBTCGH-UHFFFAOYSA-N -1 1 243.295 2.040 20 0 BEADMM O=C(c1cncc([O-])c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000096481538 360349328 /nfs/dbraw/zinc/34/93/28/360349328.db2.gz IMABMHFBYWRMNH-GWCFXTLKSA-N -1 1 246.310 2.192 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N(C1CC1)C1CC1 ZINC000628815578 360668152 /nfs/dbraw/zinc/66/81/52/360668152.db2.gz PPCOLNFANNAOKW-UHFFFAOYSA-N -1 1 235.258 2.298 20 0 BEADMM CCOC(=O)Cc1cccc([O-])c1Cl ZINC000238261038 360771160 /nfs/dbraw/zinc/77/11/60/360771160.db2.gz NGIPIOOERXEKFU-UHFFFAOYSA-N -1 1 214.648 2.151 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628961136 360774587 /nfs/dbraw/zinc/77/45/87/360774587.db2.gz SXKZECUKOQQYTB-RQJHMYQMSA-N -1 1 209.220 2.126 20 0 BEADMM C[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000070233361 361489605 /nfs/dbraw/zinc/48/96/05/361489605.db2.gz HCQCGVJERMQGCH-BQBZGAKWSA-N -1 1 209.211 2.244 20 0 BEADMM C[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000070233363 361489690 /nfs/dbraw/zinc/48/96/90/361489690.db2.gz HCQCGVJERMQGCH-RNFRBKRXSA-N -1 1 209.211 2.244 20 0 BEADMM O=C(c1ncccc1[O-])N1CCCC2(CC2)CC1 ZINC000629643894 361531592 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CC[C@H]1CC[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000136204638 171645797 /nfs/dbraw/zinc/64/57/97/171645797.db2.gz KZVLMXJTOMZSAQ-UWVGGRQHSA-N -1 1 234.299 2.190 20 0 BEADMM Cc1ccnc(NCC2(C(=O)[O-])CCC2)c1 ZINC000662899505 412339608 /nfs/dbraw/zinc/33/96/08/412339608.db2.gz DYSRRKNETIWYNI-UHFFFAOYSA-N -1 1 220.272 2.057 20 0 BEADMM CCc1onc(C)c1[N-]C(=O)c1cc(C)on1 ZINC000330495409 172126787 /nfs/dbraw/zinc/12/67/87/172126787.db2.gz RWLJGQPPELEEID-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM CN(C(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000334800140 172340244 /nfs/dbraw/zinc/34/02/44/172340244.db2.gz UQTRYYNTRAPKQI-UHFFFAOYSA-N -1 1 225.263 2.402 20 0 BEADMM CS[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000336360102 175556541 /nfs/dbraw/zinc/55/65/41/175556541.db2.gz RZDGBHOEXIRQRM-ZCFIWIBFSA-N -1 1 229.276 2.221 20 0 BEADMM C[C@@H](c1cc(F)ccc1F)N(C)CCC(=O)[O-] ZINC000082250085 176013542 /nfs/dbraw/zinc/01/35/42/176013542.db2.gz JDIXFNHPTNNWLR-QMMMGPOBSA-N -1 1 243.253 2.432 20 0 BEADMM 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211.261 2.102 20 0 BEADMM CCc1ccc(CN(C)[C@@H](C)C(=O)[O-])s1 ZINC000054070370 598130933 /nfs/dbraw/zinc/13/09/33/598130933.db2.gz KPDDDQIEPXIYFD-QMMMGPOBSA-N -1 1 227.329 2.215 20 0 BEADMM Cc1ccc(CN[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000041689658 598208828 /nfs/dbraw/zinc/20/88/28/598208828.db2.gz OOTDYSYBJMBJGW-NSHDSACASA-N -1 1 225.288 2.177 20 0 BEADMM Cc1ccc([C@@H]2CCCCN2CC(=O)[O-])o1 ZINC000381136938 600968448 /nfs/dbraw/zinc/96/84/48/600968448.db2.gz LXDARMJSJIDXIO-JTQLQIEISA-N -1 1 223.272 2.200 20 0 BEADMM C/C(=C/CN(C)[C@H](C)c1ccco1)C(=O)[O-] ZINC000706341826 601159642 /nfs/dbraw/zinc/15/96/42/601159642.db2.gz MFODKOVVYCHVIG-ABRRARGCSA-N -1 1 223.272 2.303 20 0 BEADMM Cc1cc(CN2C[C@@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000706889901 601339260 /nfs/dbraw/zinc/33/92/60/601339260.db2.gz WMRXWDCVBCUXCY-ONGXEEELSA-N -1 1 235.283 2.271 20 0 BEADMM O=C([O-])c1cccc(CNCc2ccccn2)c1 ZINC000041582261 601574104 /nfs/dbraw/zinc/57/41/04/601574104.db2.gz CNZXIDVMAUTFBF-UHFFFAOYSA-N -1 1 242.278 2.070 20 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NC(=O)c1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242218374 983417956 /nfs/dbraw/zinc/41/79/56/983417956.db2.gz BNQJISMYFFYAAA-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM [O-]c1cc(F)ccc1-c1cncc2nnoc21 ZINC001242219973 983422037 /nfs/dbraw/zinc/42/20/37/983422037.db2.gz YGXOZCPGKVBZMW-UHFFFAOYSA-N -1 1 231.186 2.130 20 0 BEADMM [O-]c1cc(F)ccc1-c1cc(F)cn2ncnc12 ZINC001242220848 983423684 /nfs/dbraw/zinc/42/36/84/983423684.db2.gz DBWHERCLROHQRS-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cc1cccc(-c2nccc(N(C)C)n2)c1[O-] ZINC001242343807 983555994 /nfs/dbraw/zinc/55/59/94/983555994.db2.gz CVFZUPOTDGOUKK-UHFFFAOYSA-N -1 1 229.283 2.224 20 0 BEADMM [O-]c1c(Cl)cccc1-c1cnc2n[nH]nc2c1 ZINC001242364847 983658297 /nfs/dbraw/zinc/65/82/97/983658297.db2.gz SDJSUFQWKZJWMU-UHFFFAOYSA-N -1 1 246.657 2.379 20 0 BEADMM CC(C)NC(=O)Nc1ccc([O-])c(F)c1F ZINC001202526047 983865037 /nfs/dbraw/zinc/86/50/37/983865037.db2.gz RQIFMHJTUQDDOW-UHFFFAOYSA-N -1 1 230.214 2.200 20 0 BEADMM CC1(CNc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC001573620372 984034810 /nfs/dbraw/zinc/03/48/10/984034810.db2.gz UGCBLTSYXAIIRH-UHFFFAOYSA-N -1 1 245.282 2.473 20 0 BEADMM [O-]c1cccc(-c2cn3ncnc3cn2)c1Cl ZINC001242799856 984169349 /nfs/dbraw/zinc/16/93/49/984169349.db2.gz GHJCELKBNWZDDG-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM Cn1cncc1-c1cccc([O-])c1Cl ZINC001242799499 984171482 /nfs/dbraw/zinc/17/14/82/984171482.db2.gz OKZBWIJESXQGLY-UHFFFAOYSA-N -1 1 208.648 2.446 20 0 BEADMM Nc1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242801142 984174131 /nfs/dbraw/zinc/17/41/31/984174131.db2.gz YAQYBKIHXNSOBM-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM [O-]c1cccc(-c2nccn3ncnc23)c1Cl ZINC001242802068 984175914 /nfs/dbraw/zinc/17/59/14/984175914.db2.gz PHHKHQOERIYQNL-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM COc1c(C(=O)[O-])cccc1-c1cc(N)ccn1 ZINC001242921853 984296956 /nfs/dbraw/zinc/29/69/56/984296956.db2.gz YYAHCFHVZCOJEQ-UHFFFAOYSA-N -1 1 244.250 2.038 20 0 BEADMM COc1c(C)ncnc1-c1ccc(F)c([O-])c1 ZINC001243049610 984399951 /nfs/dbraw/zinc/39/99/51/984399951.db2.gz MBFGMSWCMUQRTO-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM CNc1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243053333 984411902 /nfs/dbraw/zinc/41/19/02/984411902.db2.gz BGNJRYIKUSHHIA-UHFFFAOYSA-N -1 1 219.219 2.030 20 0 BEADMM COCc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243054761 984421735 /nfs/dbraw/zinc/42/17/35/984421735.db2.gz RKLZXZDMZLOLMU-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM C[C@H]1C[C@H](C)N(C(=O)c2cccc([O-])c2F)C1 ZINC001444618937 984568666 /nfs/dbraw/zinc/56/86/66/984568666.db2.gz QUYWBOYZYFWCCN-IUCAKERBSA-N -1 1 237.274 2.402 20 0 BEADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc[nH]1 ZINC001447271062 984743341 /nfs/dbraw/zinc/74/33/41/984743341.db2.gz QSHRGYKBNQXMTC-MRVPVSSYSA-N -1 1 248.257 2.350 20 0 BEADMM O=C(Nc1ccc(Cl)cc1[O-])c1cccnn1 ZINC001447288883 984755413 /nfs/dbraw/zinc/75/54/13/984755413.db2.gz PAICGDQQHGTEIB-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM Nc1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342195 984833066 /nfs/dbraw/zinc/83/30/66/984833066.db2.gz KIJDDVSZVHCQRY-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM Cn1cc(-c2ccc([O-])c(F)c2F)ccc1=O ZINC001243342737 984834090 /nfs/dbraw/zinc/83/40/90/984834090.db2.gz RNTBVAVLFJOAIP-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM Cn1c(=O)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243503913 985060499 /nfs/dbraw/zinc/06/04/99/985060499.db2.gz IFDDHYVQVPLRMF-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cnc(F)nc1 ZINC001243505204 985060834 /nfs/dbraw/zinc/06/08/34/985060834.db2.gz WVFOYTGADZKMFM-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM Cn1cnc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504516 985060907 /nfs/dbraw/zinc/06/09/07/985060907.db2.gz QEROXZNTXBNTKK-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cncc2nnoc21 ZINC001243506851 985064910 /nfs/dbraw/zinc/06/49/10/985064910.db2.gz LWSHWXSVXFNLJW-UHFFFAOYSA-N -1 1 249.176 2.269 20 0 BEADMM [O-]c1cccc(-c2ncc3cc[nH]c3n2)c1F ZINC001243542503 985074512 /nfs/dbraw/zinc/07/45/12/985074512.db2.gz MLDFZKPKBNHBQT-UHFFFAOYSA-N -1 1 229.214 2.421 20 0 BEADMM Cc1nc(-c2cccc([O-])c2F)nc2[nH]cnc21 ZINC001243542117 985079951 /nfs/dbraw/zinc/07/99/51/985079951.db2.gz HHQFACGEDWFNSB-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM NC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243576693 985134263 /nfs/dbraw/zinc/13/42/63/985134263.db2.gz KUUMIBPUTAAHID-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Cc1ccccc1[C@@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001457829700 985241232 /nfs/dbraw/zinc/24/12/32/985241232.db2.gz MYOAJBYHAPERCQ-SECBINFHSA-N -1 1 245.282 2.166 20 0 BEADMM COc1cnc(-c2cc(C)ccc2[O-])nc1C ZINC001244401426 986061620 /nfs/dbraw/zinc/06/16/20/986061620.db2.gz APMQAKNPUNEUBP-UHFFFAOYSA-N -1 1 230.267 2.475 20 0 BEADMM Cc1ccc([O-])c(-c2nc3[nH]cnc3c(C)n2)c1 ZINC001244403501 986072516 /nfs/dbraw/zinc/07/25/16/986072516.db2.gz YZQQEHBABYBJMU-UHFFFAOYSA-N -1 1 240.266 2.294 20 0 BEADMM Cc1cc(-c2ncc(N)cn2)cc(Cl)c1[O-] ZINC001244547957 986238105 /nfs/dbraw/zinc/23/81/05/986238105.db2.gz PTOSREFGHNSGEX-UHFFFAOYSA-N -1 1 235.674 2.393 20 0 BEADMM CCCNC(=S)Nc1c(F)cc([O-])cc1F ZINC001244891778 986417108 /nfs/dbraw/zinc/41/71/08/986417108.db2.gz IPZXLFNLYUQGDE-UHFFFAOYSA-N -1 1 246.282 2.367 20 0 BEADMM O=C(Nc1cccnc1)c1ccc(F)c([O-])c1 ZINC001463617509 986560479 /nfs/dbraw/zinc/56/04/79/986560479.db2.gz VTFZJOJSXVYCKR-UHFFFAOYSA-N -1 1 232.214 2.179 20 0 BEADMM C[C@@H](NC(=O)c1cccc([O-])c1F)C1CCC1 ZINC001466661488 986819464 /nfs/dbraw/zinc/81/94/64/986819464.db2.gz DYRMXJXEIROTFO-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM CCC(=O)Nc1cc([O-])c(F)cc1F ZINC001468745073 986933788 /nfs/dbraw/zinc/93/37/88/986933788.db2.gz JYJLHXKTBOLOPC-UHFFFAOYSA-N -1 1 201.172 2.019 20 0 BEADMM CCn1ncc(C)c1NC(=O)c1ccccc1[O-] ZINC001469930120 987004891 /nfs/dbraw/zinc/00/48/91/987004891.db2.gz COFYXHRGFLFKHK-UHFFFAOYSA-N -1 1 245.282 2.169 20 0 BEADMM O=C(NCCc1ccoc1)c1ccc(F)c([O-])c1 ZINC001470156302 987026742 /nfs/dbraw/zinc/02/67/42/987026742.db2.gz NUPGVQGFRFGNMC-UHFFFAOYSA-N -1 1 249.241 2.097 20 0 BEADMM Cc1cnc(-c2c([O-])cccc2F)cc1N ZINC001245653395 987028300 /nfs/dbraw/zinc/02/83/00/987028300.db2.gz KWFJPAIMRNGSBR-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM Cc1cnc(C(=O)NCCCC2CCC2)c([O-])c1 ZINC001470218863 987029641 /nfs/dbraw/zinc/02/96/41/987029641.db2.gz SXBSHCWMPMMABW-UHFFFAOYSA-N -1 1 248.326 2.406 20 0 BEADMM [O-]c1cccc(F)c1-c1cnc(F)nc1F ZINC001245654400 987035541 /nfs/dbraw/zinc/03/55/41/987035541.db2.gz DNDMCLRCANRAIX-UHFFFAOYSA-N -1 1 226.157 2.267 20 0 BEADMM O=C(Cc1ccoc1)Nc1cccc(F)c1[O-] ZINC001471166216 987081756 /nfs/dbraw/zinc/08/17/56/987081756.db2.gz DJZUSYQZWOYWAT-UHFFFAOYSA-N -1 1 235.214 2.306 20 0 BEADMM O=C(Nc1ccsn1)c1ccc(F)c([O-])c1 ZINC001471455938 987090591 /nfs/dbraw/zinc/09/05/91/987090591.db2.gz YYSCMJANNKHCFE-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM Nc1cnc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831897 987095355 /nfs/dbraw/zinc/09/53/55/987095355.db2.gz SFUCMKDTRZCALD-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM COc1c(F)cccc1-n1[n-]c(C)cc1=O ZINC001245928120 987189578 /nfs/dbraw/zinc/18/95/78/987189578.db2.gz MRYOZMUCDYJCBJ-UHFFFAOYSA-N -1 1 222.219 2.034 20 0 BEADMM CCCC(CCC)C(=O)Nc1c[n-][nH]c1=O ZINC001472570961 987245510 /nfs/dbraw/zinc/24/55/10/987245510.db2.gz XDDJIYNCEHDZQV-UHFFFAOYSA-N -1 1 225.292 2.270 20 0 BEADMM CCc1ccc(C)nc1NC1CC(C(=O)[O-])C1 ZINC001597514926 988124903 /nfs/dbraw/zinc/12/49/03/988124903.db2.gz YZGYGIYBPJKFDE-UHFFFAOYSA-N -1 1 234.299 2.228 20 0 BEADMM Cc1cc2cc(CNCC(=O)[O-])oc2cc1C ZINC001322234055 988166357 /nfs/dbraw/zinc/16/63/57/988166357.db2.gz OTWGQQGEPGVZJH-UHFFFAOYSA-N -1 1 233.267 2.224 20 0 BEADMM CCc1onc(C)c1[N-]C(=O)c1ocnc1C ZINC001323068798 988444956 /nfs/dbraw/zinc/44/49/56/988444956.db2.gz OGFVRNMDJSHPAG-UHFFFAOYSA-N -1 1 235.243 2.094 20 0 BEADMM CCc1nc([C@H](C)S[C@@H](C)CC(=O)[O-])n[nH]1 ZINC001597644092 988646926 /nfs/dbraw/zinc/64/69/26/988646926.db2.gz DWERDTOOROPPJX-BQBZGAKWSA-N -1 1 243.332 2.025 20 0 BEADMM CCc1ccc(CN[C@@H](C(=O)[O-])[C@H](C)CC)o1 ZINC001118980179 988765936 /nfs/dbraw/zinc/76/59/36/988765936.db2.gz YNDPPUZEHDXBGD-BXKDBHETSA-N -1 1 239.315 2.431 20 0 BEADMM Cc1nc(C)c(CC(=O)[N-]OCC(C)C)s1 ZINC001119524209 989125695 /nfs/dbraw/zinc/12/56/95/989125695.db2.gz GULQORHWERMYGW-UHFFFAOYSA-N -1 1 242.344 2.006 20 0 BEADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1(C)CC1 ZINC001120882634 989948046 /nfs/dbraw/zinc/94/80/46/989948046.db2.gz IFWHKFNLDCRDJU-ZCFIWIBFSA-N -1 1 227.695 2.436 20 0 BEADMM COCC[C@H]([N-]c1nc(C)no1)c1ccco1 ZINC001120920245 989965518 /nfs/dbraw/zinc/96/55/18/989965518.db2.gz GCMMOHMABLFOLE-VIFPVBQESA-N -1 1 237.259 2.161 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC2)c1 ZINC001540333768 990607148 /nfs/dbraw/zinc/60/71/48/990607148.db2.gz CMAMTQVPGKQLRY-UHFFFAOYSA-N -1 1 247.294 2.139 20 0 BEADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([O-])cn2)C1 ZINC001540605245 990630566 /nfs/dbraw/zinc/63/05/66/990630566.db2.gz WHDOSPLCASBAMD-WDEREUQCSA-N -1 1 248.326 2.438 20 0 BEADMM CC1(C)CC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001556521246 990833090 /nfs/dbraw/zinc/83/30/90/990833090.db2.gz UGKZFUBSKXGGRI-JTQLQIEISA-N -1 1 237.274 2.450 20 0 BEADMM CC1CC(CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001557636330 990898988 /nfs/dbraw/zinc/89/89/88/990898988.db2.gz JHEURGTWTFAQGC-UHFFFAOYSA-N -1 1 237.274 2.307 20 0 BEADMM C=C/C=C/CCNC(=O)c1ccc([O-])c(F)c1 ZINC001558151590 990926024 /nfs/dbraw/zinc/92/60/24/990926024.db2.gz CEJGAENVJZFEIV-ONEGZZNKSA-N -1 1 235.258 2.393 20 0 BEADMM [O-]c1cccnc1CN1CCCCC(F)(F)C1 ZINC001138391684 990931350 /nfs/dbraw/zinc/93/13/50/990931350.db2.gz SMXOUJZANPDTGN-UHFFFAOYSA-N -1 1 242.269 2.408 20 0 BEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001558379572 990944313 /nfs/dbraw/zinc/94/43/13/990944313.db2.gz BARNRRXAZHWSEV-SCZZXKLOSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001558379571 990944618 /nfs/dbraw/zinc/94/46/18/990944618.db2.gz BARNRRXAZHWSEV-PSASIEDQSA-N -1 1 237.274 2.450 20 0 BEADMM CC[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001138453386 990952251 /nfs/dbraw/zinc/95/22/51/990952251.db2.gz YZAFOTSXKRBJND-VHSXEESVSA-N -1 1 234.299 2.048 20 0 BEADMM O=C(c1cccc([O-])c1F)N1C[C@@H]2CCC[C@@H]2C1 ZINC001558763185 990993082 /nfs/dbraw/zinc/99/30/82/990993082.db2.gz XMIGZMGGEHMYBM-AOOOYVTPSA-N -1 1 249.285 2.403 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)C1(C2CCCCC2)CC1 ZINC001558988157 991015728 /nfs/dbraw/zinc/01/57/28/991015728.db2.gz FAFQRPCSUMQYAL-UHFFFAOYSA-N -1 1 249.314 2.414 20 0 BEADMM O=C(NC1(C(F)F)CC1)c1cccc([O-])c1F ZINC001138987254 991120222 /nfs/dbraw/zinc/12/02/22/991120222.db2.gz NQGVMTSPUYPBCV-UHFFFAOYSA-N -1 1 245.200 2.059 20 0 BEADMM Cc1[nH]c(CN2CC3(CCC3)C2)c(C)c1C(=O)[O-] ZINC001140500687 991655678 /nfs/dbraw/zinc/65/56/78/991655678.db2.gz DZAPPCSFRJVZCM-UHFFFAOYSA-N -1 1 248.326 2.316 20 0 BEADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([O-])cn1 ZINC001565785750 991807490 /nfs/dbraw/zinc/80/74/90/991807490.db2.gz OIQNRMSNWFUYKR-WDEREUQCSA-N -1 1 248.326 2.438 20 0 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O=C(NOC1CCCC1)c1ccc(F)c([O-])c1 ZINC001295619061 994770468 /nfs/dbraw/zinc/77/04/68/994770468.db2.gz PMTSPBVMEUINNG-UHFFFAOYSA-N -1 1 239.246 2.135 20 0 BEADMM CC(C)(CNC(=O)c1ccc([O-])cn1)C1CCC1 ZINC001298022536 994898459 /nfs/dbraw/zinc/89/84/59/994898459.db2.gz LTSHQNUFLSXJCP-UHFFFAOYSA-N -1 1 248.326 2.343 20 0 BEADMM CC(F)(F)C(=O)Nc1cc([O-])c(F)cc1F ZINC001298975204 994962856 /nfs/dbraw/zinc/96/28/56/994962856.db2.gz WGKBLNGODDSOPZ-UHFFFAOYSA-N -1 1 237.152 2.264 20 0 BEADMM C/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001298972741 994964882 /nfs/dbraw/zinc/96/48/82/994964882.db2.gz JDVNTNJPFWNQJE-IHWYPQMZSA-N -1 1 213.183 2.185 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)c1coc2ccccc12 ZINC001306848829 995262912 /nfs/dbraw/zinc/26/29/12/995262912.db2.gz XTXUMWVORHMTGQ-UHFFFAOYSA-N -1 1 243.222 2.114 20 0 BEADMM [O-]c1ccc(CNc2cnccn2)cc1Cl ZINC001307201629 995303241 /nfs/dbraw/zinc/30/32/41/995303241.db2.gz PFTQLTVSLBKAOH-UHFFFAOYSA-N -1 1 235.674 2.448 20 0 BEADMM 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/nfs/dbraw/zinc/04/00/98/1172040098.db2.gz MGLBVLBKJPQIEK-VIFPVBQESA-N -1 1 245.282 2.166 20 0 BEADMM CC1(C)CC(NC(=O)c2ccc([O-])cc2F)C1 ZINC000395483370 344332144 /nfs/dbraw/zinc/33/21/44/344332144.db2.gz HOGPLCFADBTGJB-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM Clc1cccc(CSCc2nn[n-]n2)c1 ZINC000095144184 345682108 /nfs/dbraw/zinc/68/21/08/345682108.db2.gz HZXJSDGDNVXACG-UHFFFAOYSA-N -1 1 240.719 2.287 20 0 BEADMM CC[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000005155178 345832224 /nfs/dbraw/zinc/83/22/24/345832224.db2.gz LSOCAOCWYKIHBA-ZCFIWIBFSA-N -1 1 212.318 2.277 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CC[C@H](C2CCC2)C1 ZINC001639151613 1172077368 /nfs/dbraw/zinc/07/73/68/1172077368.db2.gz KGMIYCVKSYONMS-NSHDSACASA-N -1 1 246.310 2.049 20 0 BEADMM O=C(NCCF)c1ccc2ccccc2c1[O-] ZINC000310190959 187392627 /nfs/dbraw/zinc/39/26/27/187392627.db2.gz XJQZUQXVLVWHFK-UHFFFAOYSA-N -1 1 233.242 2.245 20 0 BEADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000336447017 179572445 /nfs/dbraw/zinc/57/24/45/179572445.db2.gz PZMRPJFQEAWAOY-GHMZBOCLSA-N -1 1 248.326 2.214 20 0 BEADMM Cc1cnc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000336447019 179572679 /nfs/dbraw/zinc/57/26/79/179572679.db2.gz PZMRPJFQEAWAOY-QWRGUYRKSA-N -1 1 248.326 2.214 20 0 BEADMM CCCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000005155177 349257292 /nfs/dbraw/zinc/25/72/92/349257292.db2.gz ZFWCPDPPYNHXID-UHFFFAOYSA-N -1 1 212.318 2.279 20 0 BEADMM CC(C)n1ccc(NC(=O)c2ccccc2[O-])n1 ZINC000305894165 191072428 /nfs/dbraw/zinc/07/24/28/191072428.db2.gz QEWLOTKPHKEFJR-UHFFFAOYSA-N -1 1 245.282 2.422 20 0 BEADMM CC(C)=CCNC(=O)c1cc(F)ccc1[O-] ZINC000191856493 188174586 /nfs/dbraw/zinc/17/45/86/188174586.db2.gz QHUGHTLLDKQZTF-UHFFFAOYSA-N -1 1 223.247 2.227 20 0 BEADMM C[C@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000191367477 353465745 /nfs/dbraw/zinc/46/57/45/353465745.db2.gz KALHFMGTHDXRLI-JQWIXIFHSA-N -1 1 248.326 2.486 20 0 BEADMM C[C@H]1[C@H](C(=O)Nc2ccc(F)cc2[O-])C1(F)F ZINC000334754834 354576176 /nfs/dbraw/zinc/57/61/76/354576176.db2.gz SBDCCXHXKAIBRE-SSDLBLMSSA-N -1 1 245.200 2.371 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])cn1)C1CCCC1 ZINC001640608500 1172180876 /nfs/dbraw/zinc/18/08/76/1172180876.db2.gz LEWJUVRIIVNNEZ-LBPRGKRZSA-N -1 1 248.326 2.486 20 0 BEADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ncccc1[O-] ZINC000335219494 355058740 /nfs/dbraw/zinc/05/87/40/355058740.db2.gz AWUHRFRUFSDCLN-SECBINFHSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1cnc(C(=O)N2[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC000336106256 134082467 /nfs/dbraw/zinc/08/24/67/134082467.db2.gz ZHSMZOSAWZSLOY-GHMZBOCLSA-N -1 1 248.326 2.499 20 0 BEADMM Cc1cnc(C(=O)N2CCCC[C@@H](C)C2)c([O-])c1 ZINC000336102196 134083556 /nfs/dbraw/zinc/08/35/56/134083556.db2.gz HRPNNTSLPAUDAT-SNVBAGLBSA-N -1 1 248.326 2.358 20 0 BEADMM COCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350810827 357071051 /nfs/dbraw/zinc/07/10/51/357071051.db2.gz ATAJWFFINZBOGO-UHFFFAOYSA-N -1 1 240.646 2.242 20 0 BEADMM CC(C)CC1(NC(=O)c2ccc([O-])cn2)CC1 ZINC001641104544 1172221872 /nfs/dbraw/zinc/22/18/72/1172221872.db2.gz UVUBIDZUWJVQPK-UHFFFAOYSA-N -1 1 234.299 2.096 20 0 BEADMM CC[C@@H](C)N(CC)C(=O)c1ccc([O-])cn1 ZINC001641323496 1172242621 /nfs/dbraw/zinc/24/26/21/1172242621.db2.gz JDEGHZRISGDRLJ-SECBINFHSA-N -1 1 222.288 2.048 20 0 BEADMM O=C(NCCCC1CC1)c1c([O-])cccc1F ZINC000228852491 358386484 /nfs/dbraw/zinc/38/64/84/358386484.db2.gz ONJNWBXVRXCQDX-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000070253759 359047142 /nfs/dbraw/zinc/04/71/42/359047142.db2.gz IQOPVSYOYDQRQL-UHFFFAOYSA-N -1 1 231.255 2.131 20 0 BEADMM CCc1cc(=O)[nH]c(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000246432295 359084326 /nfs/dbraw/zinc/08/43/26/359084326.db2.gz DFCYIMYARSCEME-WDEREUQCSA-N -1 1 249.358 2.365 20 0 BEADMM CC1CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000614024854 363707236 /nfs/dbraw/zinc/70/72/36/363707236.db2.gz BOOLGTUHRDXTBE-UHFFFAOYSA-N -1 1 242.278 2.032 20 0 BEADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001641600479 1172270530 /nfs/dbraw/zinc/27/05/30/1172270530.db2.gz ARUKHVIYGVQANW-RKDXNWHRSA-N -1 1 237.303 2.270 20 0 BEADMM Cc1ncccc1NC(=O)c1ccccc1[O-] ZINC000091497366 360118514 /nfs/dbraw/zinc/11/85/14/360118514.db2.gz ZCGMHIHLZGEDFT-UHFFFAOYSA-N -1 1 228.251 2.348 20 0 BEADMM O=C(CCCF)Nc1ccc(F)cc1[O-] ZINC000613028475 360293445 /nfs/dbraw/zinc/29/34/45/360293445.db2.gz PNAWCALEWLDDPH-UHFFFAOYSA-N -1 1 215.199 2.220 20 0 BEADMM CC[C@](C)(NC(=O)c1ccc([O-])cn1)C1CC1 ZINC001641661957 1172279422 /nfs/dbraw/zinc/27/94/22/1172279422.db2.gz JSWALPILHATUKQ-ZDUSSCGKSA-N -1 1 234.299 2.096 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCS1 ZINC000628960672 360773106 /nfs/dbraw/zinc/77/31/06/360773106.db2.gz QBDZVZYPJJCTJS-VIFPVBQESA-N -1 1 241.287 2.365 20 0 BEADMM C/C=C\C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001641686807 1172284163 /nfs/dbraw/zinc/28/41/63/1172284163.db2.gz QPGGYIRHQABDLE-IHWYPQMZSA-N -1 1 243.266 2.093 20 0 BEADMM CCc1cc(=O)[n-]c(SC[C@H]2C[C@H]2C)n1 ZINC000629176137 360923803 /nfs/dbraw/zinc/92/38/03/360923803.db2.gz SUMUDCRWOULMMH-HTQZYQBOSA-N -1 1 224.329 2.493 20 0 BEADMM C[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000070266767 361495648 /nfs/dbraw/zinc/49/56/48/361495648.db2.gz MQUILWPGXIAGBW-BWZBUEFSSA-N -1 1 223.238 2.490 20 0 BEADMM C[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000070233306 361489646 /nfs/dbraw/zinc/48/96/46/361489646.db2.gz QOYBBXGUPHQOJZ-RNFRBKRXSA-N -1 1 209.211 2.244 20 0 BEADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cncc([O-])c1 ZINC000629618133 361513146 /nfs/dbraw/zinc/51/31/46/361513146.db2.gz ISMTXZHRYHZVLN-FZMZJTMJSA-N -1 1 246.310 2.192 20 0 BEADMM C(SCC1CCCCC1)c1nn[n-]n1 ZINC000435231795 201257066 /nfs/dbraw/zinc/25/70/66/201257066.db2.gz ZVCXFAJETBBLSA-UHFFFAOYSA-N -1 1 212.322 2.013 20 0 BEADMM C[C@H](F)CCNC(=O)c1c([O-])cccc1F ZINC000436542686 201331385 /nfs/dbraw/zinc/33/13/85/201331385.db2.gz DTOPHLLLTBAQQO-ZETCQYMHSA-N -1 1 229.226 2.009 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@@H](C)CCOC)n1 ZINC000436199450 201313712 /nfs/dbraw/zinc/31/37/12/201313712.db2.gz TYQUBTNESWBTNO-QMMMGPOBSA-N -1 1 242.344 2.262 20 0 BEADMM O=C(NC[C@H]1CCCC12CC2)c1cncc([O-])c1 ZINC000629829601 361727231 /nfs/dbraw/zinc/72/72/31/361727231.db2.gz HOVSJSXVMIVGLX-LLVKDONJSA-N -1 1 246.310 2.097 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000615217943 364636784 /nfs/dbraw/zinc/63/67/84/364636784.db2.gz IXTCQFXELAEKLV-RKDXNWHRSA-N -1 1 237.303 2.044 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)C(C)(C)C ZINC000615220325 364639276 /nfs/dbraw/zinc/63/92/76/364639276.db2.gz VGTTXLXJYXKDHM-UHFFFAOYSA-N -1 1 239.319 2.435 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C1=CC[C@@H](C)CC1 ZINC000615229073 364647645 /nfs/dbraw/zinc/64/76/45/364647645.db2.gz OGYBBYGFTILYKN-SSDOTTSWSA-N -1 1 235.287 2.109 20 0 BEADMM Cc1cc(-c2nc3ccc(O)cc3c(=O)[n-]2)no1 ZINC000436952170 541394081 /nfs/dbraw/zinc/39/40/81/541394081.db2.gz VYBGAJUDBCLNQC-UHFFFAOYSA-N -1 1 243.222 2.004 20 0 BEADMM CC1CC(CNC(=O)c2c([O-])cccc2F)C1 ZINC000622239257 370788258 /nfs/dbraw/zinc/78/82/58/370788258.db2.gz UZIZMRNJQBNTRI-UHFFFAOYSA-N -1 1 237.274 2.307 20 0 BEADMM CC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(C)cc1 ZINC000341030922 365511487 /nfs/dbraw/zinc/51/14/87/365511487.db2.gz BPCRMWHKKIHRAE-LLVKDONJSA-N -1 1 246.314 2.060 20 0 BEADMM C[C@H]1CCC(C)(C)N1C(=O)c1ncccc1[O-] ZINC000616164294 368996193 /nfs/dbraw/zinc/99/61/93/368996193.db2.gz BVUSENJAPVAOSQ-VIFPVBQESA-N -1 1 234.299 2.190 20 0 BEADMM CC(NC(=O)c1cncc([O-])c1)(C1CC1)C1CC1 ZINC000620025255 369670860 /nfs/dbraw/zinc/67/08/60/369670860.db2.gz LTFMEIVZVUIHDI-UHFFFAOYSA-N -1 1 246.310 2.096 20 0 BEADMM CC12CC(C1)CN2C(=O)c1ccc([O-])c(F)c1 ZINC000621215894 370161552 /nfs/dbraw/zinc/16/15/52/370161552.db2.gz XJEGPNZZXDXWAT-UHFFFAOYSA-N -1 1 235.258 2.156 20 0 BEADMM CC(C)c1nc(=NCC[C@H]2CC2(F)F)o[n-]1 ZINC000621345683 370279515 /nfs/dbraw/zinc/27/95/15/370279515.db2.gz STKAYHUPJMTSFA-ZETCQYMHSA-N -1 1 231.246 2.072 20 0 BEADMM CCCCN(CC)C(=O)c1cncc([O-])c1 ZINC000082650785 168796872 /nfs/dbraw/zinc/79/68/72/168796872.db2.gz RUMHTJJZFBORDH-UHFFFAOYSA-N -1 1 222.288 2.049 20 0 BEADMM C[C@@H]1CC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000226520119 371686885 /nfs/dbraw/zinc/68/68/85/371686885.db2.gz SKEBIPDFLIEXHU-GJMOJQLCSA-N -1 1 223.238 2.490 20 0 BEADMM O=C(NCC1(C2CC2)CC1)c1c([O-])cccc1F ZINC000130617458 182127372 /nfs/dbraw/zinc/12/73/72/182127372.db2.gz KXFOBCAQCQPGEW-UHFFFAOYSA-N -1 1 249.285 2.451 20 0 BEADMM O=C(NCC1(C2CC2)CCC1)c1ncccc1[O-] ZINC000162630330 182129980 /nfs/dbraw/zinc/12/99/80/182129980.db2.gz QTPVCMCTXPIFDS-UHFFFAOYSA-N -1 1 246.310 2.097 20 0 BEADMM O=C(NCCC1=CCCCC1)c1cncc([O-])c1 ZINC000082301946 182153014 /nfs/dbraw/zinc/15/30/14/182153014.db2.gz UPJZWWFAJSZHQK-UHFFFAOYSA-N -1 1 246.310 2.408 20 0 BEADMM O=C([N-]Cc1ccsc1)C(F)(F)C(F)F ZINC000226606195 182269358 /nfs/dbraw/zinc/26/93/58/182269358.db2.gz VPQZKGKFBAIOJK-UHFFFAOYSA-N -1 1 241.209 2.265 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])c1ccco1 ZINC000336433847 182357776 /nfs/dbraw/zinc/35/77/76/182357776.db2.gz RYLGVBLEXDCFDX-UHFFFAOYSA-N -1 1 221.187 2.377 20 0 BEADMM O=C(Nc1ccccc1F)c1cncc([O-])c1 ZINC000082324193 182379290 /nfs/dbraw/zinc/37/92/90/182379290.db2.gz PPXSNDLHVHXDEW-UHFFFAOYSA-N -1 1 232.214 2.179 20 0 BEADMM C[C@@H](SCc1nn[n-]n1)c1ccccc1F ZINC001643668613 1172485371 /nfs/dbraw/zinc/48/53/71/1172485371.db2.gz OGJAXIFVGJYYRD-SSDOTTSWSA-N -1 1 238.291 2.333 20 0 BEADMM CCC[C@@H](CC)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000287578702 169375264 /nfs/dbraw/zinc/37/52/64/169375264.db2.gz FKZVOOMQDNHZDI-LLVKDONJSA-N -1 1 249.310 2.270 20 0 BEADMM CCC[C@@H](CC)NC(=O)c1cncc([O-])c1 ZINC000082651015 169378649 /nfs/dbraw/zinc/37/86/49/169378649.db2.gz OMWPUYKEUNTHON-SNVBAGLBSA-N -1 1 222.288 2.096 20 0 BEADMM O=C(c1cncc([O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087777710 383865443 /nfs/dbraw/zinc/86/54/43/383865443.db2.gz CDTNUHJDQCGPRF-MFKMUULPSA-N -1 1 246.310 2.192 20 0 BEADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000407969259 384051807 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/nfs/dbraw/zinc/70/84/62/384708462.db2.gz GZTRLKCCQSOXHW-UHFFFAOYSA-N -1 1 225.675 2.328 20 0 BEADMM Cc1ccc(CNC2(C(=O)[O-])CCCC2)o1 ZINC000053043427 384764528 /nfs/dbraw/zinc/76/45/28/384764528.db2.gz QEEQHUXXOHLQEY-UHFFFAOYSA-N -1 1 223.272 2.075 20 0 BEADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c(O)c1 ZINC000108953127 384806650 /nfs/dbraw/zinc/80/66/50/384806650.db2.gz LCXXHGWNZZDCLL-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000247132756 384852488 /nfs/dbraw/zinc/85/24/88/384852488.db2.gz MFRCETVAKJAUOU-MGCOHNPYSA-N -1 1 234.299 2.096 20 0 BEADMM CCO[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000058647757 385018238 /nfs/dbraw/zinc/01/82/38/385018238.db2.gz AZTBCQZDRZVZSR-LBPRGKRZSA-N -1 1 219.284 2.174 20 0 BEADMM CC[C@@H]1CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000647054797 385194967 /nfs/dbraw/zinc/19/49/67/385194967.db2.gz MNGDZSOEVQMHSC-SECBINFHSA-N -1 1 223.247 2.156 20 0 BEADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H](C)CC2)n1 ZINC000176828830 385150601 /nfs/dbraw/zinc/15/06/01/385150601.db2.gz LYXMTTDREWEWNH-NSHDSACASA-N -1 1 249.358 2.367 20 0 BEADMM O=C(N[C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000424966422 385259261 /nfs/dbraw/zinc/25/92/61/385259261.db2.gz CQORQNNPWYWRIS-SNVBAGLBSA-N -1 1 237.686 2.328 20 0 BEADMM CC(C)[C@H](C)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000153659396 385270942 /nfs/dbraw/zinc/27/09/42/385270942.db2.gz WTHWBOCARHJYSD-JTQLQIEISA-N -1 1 248.326 2.436 20 0 BEADMM CS[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000191976540 385336270 /nfs/dbraw/zinc/33/62/70/385336270.db2.gz JGOMPQFHMCFHRL-RXMQYKEDSA-N -1 1 246.719 2.131 20 0 BEADMM CC1(C)CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000094330176 385403379 /nfs/dbraw/zinc/40/33/79/385403379.db2.gz GGNHGRAUEZIMQW-SNVBAGLBSA-N -1 1 234.299 2.096 20 0 BEADMM CCCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182876399 385481737 /nfs/dbraw/zinc/48/17/37/385481737.db2.gz SOCDHANCMONOCV-UHFFFAOYSA-N -1 1 243.690 2.411 20 0 BEADMM Cc1ccc(S([O-])=CC(=O)c2ccc[nH]2)cc1 ZINC000107943466 385596592 /nfs/dbraw/zinc/59/65/92/385596592.db2.gz YIGSIAZXJLCYGC-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM Cc1ccc([S@](=O)C=C([O-])c2ccc[nH]2)cc1 ZINC000107943466 385596596 /nfs/dbraw/zinc/59/65/96/385596596.db2.gz YIGSIAZXJLCYGC-KRWDZBQOSA-N -1 1 247.319 2.314 20 0 BEADMM CC[C@@H](C)CN=c1nc([C@H](C)OC)[n-]s1 ZINC000336680124 385626368 /nfs/dbraw/zinc/62/63/68/385626368.db2.gz IUVIYIRNTMEVJF-SFYZADRCSA-N -1 1 229.349 2.125 20 0 BEADMM CO[C@@H](C)c1nc(=NC2CCCC2)s[n-]1 ZINC000336682440 385643970 /nfs/dbraw/zinc/64/39/70/385643970.db2.gz JKODTKYJNJDICP-ZETCQYMHSA-N -1 1 227.333 2.022 20 0 BEADMM Cc1nc(C(C)C)oc1C(=O)[N-]c1cnoc1 ZINC000645233441 385693084 /nfs/dbraw/zinc/69/30/84/385693084.db2.gz IJLDWKBJXNFVHI-UHFFFAOYSA-N -1 1 235.243 2.347 20 0 BEADMM Cc1nsc([N-]c2cnn(CC(C)C)c2)n1 ZINC000271321843 385817382 /nfs/dbraw/zinc/81/73/82/385817382.db2.gz OONWOFNKDFTYKK-UHFFFAOYSA-N -1 1 237.332 2.443 20 0 BEADMM CC(C)(C)OCC(=O)Nc1ccc(F)cc1[O-] ZINC000272347657 385896317 /nfs/dbraw/zinc/89/63/17/385896317.db2.gz OCMCCSIRKOELMJ-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM CC(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335021346 385981421 /nfs/dbraw/zinc/98/14/21/385981421.db2.gz OEEPCDVOPUQIHX-UHFFFAOYSA-N -1 1 215.199 2.265 20 0 BEADMM CO[C@H](C)CCC(=O)Nc1ccc(F)cc1[O-] ZINC000273049717 385964121 /nfs/dbraw/zinc/96/41/21/385964121.db2.gz JJPIRWDZUVBILI-MRVPVSSYSA-N -1 1 241.262 2.285 20 0 BEADMM CCc1ccc(C(=O)Nc2cnns2)c([O-])c1 ZINC000188204701 386301771 /nfs/dbraw/zinc/30/17/71/386301771.db2.gz VTEQGXOIWHVHOO-UHFFFAOYSA-N -1 1 249.295 2.058 20 0 BEADMM CSc1n[nH]c(NC(=O)C=CC(C)(C)C)n1 ZINC000265252313 386322113 /nfs/dbraw/zinc/32/21/13/386322113.db2.gz KFSHSVKFTXGYJU-AATRIKPKSA-N -1 1 240.332 2.067 20 0 BEADMM COC[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340327706 386376914 /nfs/dbraw/zinc/37/69/14/386376914.db2.gz KOHWLZPJFFFDRJ-MRVPVSSYSA-N -1 1 241.262 2.142 20 0 BEADMM CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289455101 386576862 /nfs/dbraw/zinc/57/68/62/386576862.db2.gz FKMBQBSAYHTADG-UHFFFAOYSA-N -1 1 206.217 2.232 20 0 BEADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc([O-])cc1F ZINC000335497147 386621263 /nfs/dbraw/zinc/62/12/63/386621263.db2.gz WHMZYCYEUUCZJB-WCQYABFASA-N -1 1 249.285 2.450 20 0 BEADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000335767298 386909871 /nfs/dbraw/zinc/90/98/71/386909871.db2.gz CSNOXABZVJGUQN-OCAPTIKFSA-N -1 1 223.247 2.154 20 0 BEADMM Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000358713066 387000860 /nfs/dbraw/zinc/00/08/60/387000860.db2.gz FEIGDCGKNUXRAJ-GHMZBOCLSA-N -1 1 248.326 2.404 20 0 BEADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000111739336 387088343 /nfs/dbraw/zinc/08/83/43/387088343.db2.gz VGOIFNDWRWCNQJ-GWCFXTLKSA-N -1 1 248.326 2.486 20 0 BEADMM Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)[O-])o1 ZINC000309781611 387220432 /nfs/dbraw/zinc/22/04/32/387220432.db2.gz RIMVRCOSMANTFL-NXEZZACHSA-N -1 1 223.272 2.198 20 0 BEADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccco1 ZINC000162057707 387309733 /nfs/dbraw/zinc/30/97/33/387309733.db2.gz WSYHFXFASZCLJK-NSHDSACASA-N -1 1 225.288 2.355 20 0 BEADMM O=C([N-][C@H]1CCCC2(CC2)C1)C(F)(F)F ZINC000575512055 387384110 /nfs/dbraw/zinc/38/41/10/387384110.db2.gz KMWJZLNXMQUICJ-ZETCQYMHSA-N -1 1 221.222 2.388 20 0 BEADMM Cc1cnc(C(=O)N(C)CC2CCCC2)c([O-])c1 ZINC000336625156 387479325 /nfs/dbraw/zinc/47/93/25/387479325.db2.gz ZHPCZYYYSCLROO-UHFFFAOYSA-N -1 1 248.326 2.358 20 0 BEADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000037760397 387564883 /nfs/dbraw/zinc/56/48/83/387564883.db2.gz VRYGZFVISPULME-JTQLQIEISA-N -1 1 242.278 2.278 20 0 BEADMM C[C@@H](C1CC1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128614659 387751375 /nfs/dbraw/zinc/75/13/75/387751375.db2.gz KFETYSBOAGEDFP-QMMMGPOBSA-N -1 1 237.274 2.402 20 0 BEADMM CC(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000153929711 387894722 /nfs/dbraw/zinc/89/47/22/387894722.db2.gz VOJKBJJVDCAWQJ-NSHDSACASA-N -1 1 248.326 2.295 20 0 BEADMM CC(C)(C)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000437001276 387910283 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/nfs/dbraw/zinc/39/78/44/388397844.db2.gz IVBUGRCGFFRDRC-ZDUSSCGKSA-N -1 1 246.310 2.096 20 0 BEADMM CC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC000334555039 388445998 /nfs/dbraw/zinc/44/59/98/388445998.db2.gz FRXMKCNPYBYLFU-CYBMUJFWSA-N -1 1 234.299 2.049 20 0 BEADMM CC/C=C/CNC(=O)c1ccc([O-])cc1F ZINC000295967871 388415408 /nfs/dbraw/zinc/41/54/08/388415408.db2.gz OANDFXCTUMBEBO-ONEGZZNKSA-N -1 1 223.247 2.227 20 0 BEADMM CC(C)c1nc(=NCC(C2CC2)C2CC2)o[n-]1 ZINC000525193549 388419998 /nfs/dbraw/zinc/41/99/98/388419998.db2.gz AIKFDBJPSHIPGR-UHFFFAOYSA-N -1 1 235.331 2.463 20 0 BEADMM CC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(C)cc1 ZINC000341030923 388494510 /nfs/dbraw/zinc/49/45/10/388494510.db2.gz BPCRMWHKKIHRAE-NSHDSACASA-N -1 1 246.314 2.060 20 0 BEADMM Cc1cnc(C(=O)NCCCC2CC2)c([O-])c1 ZINC000548632190 388549758 /nfs/dbraw/zinc/54/97/58/388549758.db2.gz HDYJHGZXRHXTCW-UHFFFAOYSA-N -1 1 234.299 2.016 20 0 BEADMM CCC[C@@H](OC)C(=O)Nc1cccc(F)c1[O-] ZINC000530006903 388604148 /nfs/dbraw/zinc/60/41/48/388604148.db2.gz XKXGCYYGYJVUAA-SNVBAGLBSA-N -1 1 241.262 2.285 20 0 BEADMM O=C(Nc1ccccc1F)c1ccc(O)cc1[O-] ZINC000192643676 388681689 /nfs/dbraw/zinc/68/16/89/388681689.db2.gz CJQRPDMWTSUZMJ-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM Cc1cc(C)nc(NC(=O)c2cncc([O-])c2)c1 ZINC000123786285 388656782 /nfs/dbraw/zinc/65/67/82/388656782.db2.gz VLPATKUNNGBJBZ-UHFFFAOYSA-N -1 1 243.266 2.051 20 0 BEADMM CC1(C)C[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000227118743 388742340 /nfs/dbraw/zinc/74/23/40/388742340.db2.gz DSJDLSNKHBROHG-QMMMGPOBSA-N -1 1 237.274 2.307 20 0 BEADMM CCc1noc(-c2ccc([O-])cc2F)n1 ZINC000230225717 388821156 /nfs/dbraw/zinc/82/11/56/388821156.db2.gz HECFBKCVIZRSEI-UHFFFAOYSA-N -1 1 208.192 2.144 20 0 BEADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000649123791 388841020 /nfs/dbraw/zinc/84/10/20/388841020.db2.gz STKPDXUGUIFNDM-OUAUKWLOSA-N -1 1 246.310 2.014 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]cn1 ZINC000335972032 134030131 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ZINC000817361609 586799129 /nfs/dbraw/zinc/79/91/29/586799129.db2.gz ANWHFWPDLWWPND-VIFPVBQESA-N -1 1 237.274 2.387 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CC=CCC1 ZINC000820407439 587046677 /nfs/dbraw/zinc/04/66/77/587046677.db2.gz LHJLVPCHVKHBRL-VIFPVBQESA-N -1 1 235.287 2.109 20 0 BEADMM COc1cnc(C=Cc2ccccc2)[n-]c1=O ZINC000821008046 587087970 /nfs/dbraw/zinc/08/79/70/587087970.db2.gz MYXXKCHJPQMYGL-BQYQJAHWSA-N -1 1 228.251 2.361 20 0 BEADMM O=C([O-])C1CCN(Cc2ccc(Cl)o2)CC1 ZINC000821511323 587124041 /nfs/dbraw/zinc/12/40/41/587124041.db2.gz HMDHOHXJCHQAPK-UHFFFAOYSA-N -1 1 243.690 2.230 20 0 BEADMM CC1(C(=O)[N-]OCCC2CC2)CC(F)(F)C1 ZINC000823144264 587205394 /nfs/dbraw/zinc/20/53/94/587205394.db2.gz BOGBTWRBRLTLST-UHFFFAOYSA-N -1 1 233.258 2.270 20 0 BEADMM Cc1ccccc1[C@@H](C)N1CCN(C(=O)[O-])CC1 ZINC000832976732 587696107 /nfs/dbraw/zinc/69/61/07/587696107.db2.gz ARGSBJMYNNFBLL-GFCCVEGCSA-N -1 1 248.326 2.352 20 0 BEADMM C/C(=C\CN(C)[C@@H](C)c1ccccn1)C(=O)[O-] ZINC000833382757 587711975 /nfs/dbraw/zinc/71/19/75/587711975.db2.gz LMSYBHIZJNTGIU-HUYFXPKMSA-N -1 1 234.299 2.105 20 0 BEADMM O=C(NCCC[C@H]1C=CCC1)c1cncc([O-])c1 ZINC000834327204 587751956 /nfs/dbraw/zinc/75/19/56/587751956.db2.gz QRDISNIIYDZJOD-NSHDSACASA-N -1 1 246.310 2.263 20 0 BEADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834833793 587768232 /nfs/dbraw/zinc/76/82/32/587768232.db2.gz LWYHAROQLCLFEI-UHFFFAOYSA-N -1 1 225.675 2.072 20 0 BEADMM CC(C)c1ccc(CNC[C@@H](F)C(=O)[O-])cc1 ZINC000841814803 587975312 /nfs/dbraw/zinc/97/53/12/587975312.db2.gz DAJFKWNMYZIBAR-GFCCVEGCSA-N -1 1 239.290 2.322 20 0 BEADMM COC(=O)c1c[n-]c(SCC2=CCCC2)n1 ZINC000842568967 588042935 /nfs/dbraw/zinc/04/29/35/588042935.db2.gz GTFHNVRBOWVRNI-UHFFFAOYSA-N -1 1 238.312 2.399 20 0 BEADMM Cc1cc(CN(CC(=O)[O-])CC2CC2)c(C)o1 ZINC000844934697 588219596 /nfs/dbraw/zinc/21/95/96/588219596.db2.gz DMBBWRBBWWNAMD-UHFFFAOYSA-N -1 1 237.299 2.193 20 0 BEADMM C[C@H]1c2ccccc2C[C@H]1[N-]C(=O)C(F)(F)F ZINC000849442187 588479244 /nfs/dbraw/zinc/47/92/44/588479244.db2.gz OHZKIGILDOONMF-OIBJUYFYSA-N -1 1 243.228 2.393 20 0 BEADMM Cc1cnc(SC/C=C/Cl)[n-]c1=O ZINC000849900983 588509097 /nfs/dbraw/zinc/50/90/97/588509097.db2.gz HPUGDOQIWDSBOL-NSCUHMNNSA-N -1 1 216.693 2.335 20 0 BEADMM CCN(Cc1cccnc1Cl)[C@@H](C)C(=O)[O-] ZINC000852729939 588698336 /nfs/dbraw/zinc/69/83/36/588698336.db2.gz LZNCBHWHCQDNHF-QMMMGPOBSA-N -1 1 242.706 2.030 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])C1=CCCCO1 ZINC000863010026 589251716 /nfs/dbraw/zinc/25/17/16/589251716.db2.gz NCYVGNUYLMMWLO-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM COC(=O)c1c[n-]c(SCCCC2CC2)n1 ZINC000865363018 589426178 /nfs/dbraw/zinc/42/61/78/589426178.db2.gz GLQUCBBNVFCSEU-UHFFFAOYSA-N -1 1 240.328 2.479 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000868545572 589563517 /nfs/dbraw/zinc/56/35/17/589563517.db2.gz QXXODEVNRFUYFF-HTQZYQBOSA-N -1 1 237.303 2.044 20 0 BEADMM CN(CCC(=O)[O-])Cc1cccc(F)c1Cl ZINC000122798700 589632179 /nfs/dbraw/zinc/63/21/79/589632179.db2.gz WYGOPMVVIJNVEC-UHFFFAOYSA-N -1 1 245.681 2.386 20 0 BEADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CC1 ZINC000871626451 589778332 /nfs/dbraw/zinc/77/83/32/589778332.db2.gz JIBOLIMJGUZRTN-UHFFFAOYSA-N -1 1 240.690 2.007 20 0 BEADMM CCc1[n-]n(Cc2ccccc2)c(=O)c1F ZINC000871940364 589836314 /nfs/dbraw/zinc/83/63/14/589836314.db2.gz SANNVMNADQDEOA-LLVKDONJSA-N -1 1 220.247 2.133 20 0 BEADMM CCc1[n-]n(-c2ncccc2Cl)c(=O)c1F ZINC000871948020 589838655 /nfs/dbraw/zinc/83/86/55/589838655.db2.gz OQCLXPSWKNQKJL-MRVPVSSYSA-N -1 1 241.653 2.186 20 0 BEADMM CCc1[n-]n(Cc2cccc(C)c2)c(=O)c1F ZINC000871951350 589840027 /nfs/dbraw/zinc/84/00/27/589840027.db2.gz MOUUONBHGARRSY-GFCCVEGCSA-N -1 1 234.274 2.441 20 0 BEADMM Cc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C1CC1 ZINC000871950651 589840167 /nfs/dbraw/zinc/84/01/67/589840167.db2.gz IJUUZCFLXQROAG-NSHDSACASA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(-c2ccc3n[nH]cc3c2)c(=O)c1F ZINC000871957408 589843382 /nfs/dbraw/zinc/84/33/82/589843382.db2.gz FFRSXTKRIYGGPV-LLVKDONJSA-N -1 1 246.245 2.014 20 0 BEADMM CCc1c(C)[n-]n(-c2ncccc2C)c1=O ZINC000871956504 589843596 /nfs/dbraw/zinc/84/35/96/589843596.db2.gz UUKMOCXRYISZRO-JTQLQIEISA-N -1 1 217.272 2.139 20 0 BEADMM Cc1[n-]n(-c2ccc(C)c(F)c2)c(=O)c1F ZINC000871960413 589845731 /nfs/dbraw/zinc/84/57/31/589845731.db2.gz ZOBAFKOWLJYCNH-SNVBAGLBSA-N -1 1 224.210 2.195 20 0 BEADMM CCc1[n-]n([C@H](C)C(C)(C)C)c(=O)c1F ZINC000871961523 589846399 /nfs/dbraw/zinc/84/63/99/589846399.db2.gz QULQMLCEHVQKRJ-APPZFPTMSA-N -1 1 214.284 2.367 20 0 BEADMM CC(C)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000021058828 590165055 /nfs/dbraw/zinc/16/50/55/590165055.db2.gz PQAXGTSODCHCQW-UHFFFAOYSA-N -1 1 219.244 2.148 20 0 BEADMM C/C(=C\CN(C)Cc1ccc(C)o1)C(=O)[O-] ZINC000214587126 591636277 /nfs/dbraw/zinc/63/62/77/591636277.db2.gz UYRGDVMVJGOBHF-RMKNXTFCSA-N -1 1 223.272 2.051 20 0 BEADMM COc1ccccc1CN(C)C/C=C(\C)C(=O)[O-] ZINC000214708285 591738200 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/nfs/dbraw/zinc/80/77/93/972807793.db2.gz BMZMTJOKITUOII-VIFPVBQESA-N -1 1 212.297 2.075 20 0 BEADMM CCCCCCNC(=O)c1ccc([O-])cn1 ZINC001141322400 1169381501 /nfs/dbraw/zinc/38/15/01/1169381501.db2.gz NEJPIGMBYIAOPD-UHFFFAOYSA-N -1 1 222.288 2.097 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CCC[C@H](C2CC2)C1 ZINC001141681721 1169392718 /nfs/dbraw/zinc/39/27/18/1169392718.db2.gz MRMKBWILPXRCLJ-NSHDSACASA-N -1 1 246.310 2.049 20 0 BEADMM Cc1nnc([N-]c2cc(F)c(O)cc2F)o1 ZINC001215570583 970785164 /nfs/dbraw/zinc/78/51/64/970785164.db2.gz UTORFJJMUYGJNT-UHFFFAOYSA-N -1 1 227.170 2.105 20 0 BEADMM NC(=O)c1cccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577055 970818579 /nfs/dbraw/zinc/81/85/79/970818579.db2.gz ZHEBVCIQCHHSAY-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM C[C@@H]1C[C@@H]1c1nnc(-c2ccc(O)cc2[O-])o1 ZINC001256626870 970890376 /nfs/dbraw/zinc/89/03/76/970890376.db2.gz URYKITMLDQQRAC-MUWHJKNJSA-N -1 1 232.239 2.271 20 0 BEADMM O=[P@]([O-])(O)CCOC1CCCCCCC1 ZINC001224602027 973788993 /nfs/dbraw/zinc/78/89/93/973788993.db2.gz NDWFPCYMNGXUTA-UHFFFAOYSA-N -1 1 236.248 2.294 20 0 BEADMM C[C@@H]1CCC[C@@H](C)C1OCC[P@](=O)([O-])O ZINC001224601909 973787335 /nfs/dbraw/zinc/78/73/35/973787335.db2.gz MROMTQSJCMGYTF-RKDXNWHRSA-N -1 1 236.248 2.005 20 0 BEADMM Cc1nonc1[N-]c1cnc(Cl)cc1C ZINC001216277849 971017783 /nfs/dbraw/zinc/01/77/83/971017783.db2.gz FHIXEFRECSULEG-UHFFFAOYSA-N -1 1 224.651 2.478 20 0 BEADMM c1cc2cccc([N-]c3nnco3)c2[nH]1 ZINC001210207583 1169523128 /nfs/dbraw/zinc/52/31/28/1169523128.db2.gz HMCGLVYIILDKDK-UHFFFAOYSA-N -1 1 200.201 2.295 20 0 BEADMM Cn1cncc1Nc1ccc([S-])cc1 ZINC001211251014 1169532467 /nfs/dbraw/zinc/53/24/67/1169532467.db2.gz UMSYWBWLOIPHRF-UHFFFAOYSA-N -1 1 205.286 2.452 20 0 BEADMM CCCCCC[C@@H](C)[NH2+]CCP(=O)([O-])[O-] ZINC001257363283 971280499 /nfs/dbraw/zinc/28/04/99/971280499.db2.gz QECUZWRYJQELRF-SNVBAGLBSA-N -1 1 237.280 2.113 20 0 BEADMM CC(C)[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225019692 974146751 /nfs/dbraw/zinc/14/67/51/974146751.db2.gz ZZSYTGWQLGXVFF-SECBINFHSA-N -1 1 224.237 2.005 20 0 BEADMM C[C@H](C(=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC000058012151 948936583 /nfs/dbraw/zinc/93/65/83/948936583.db2.gz CYRSGLIHVKUYEB-SSDOTTSWSA-N -1 1 225.675 2.129 20 0 BEADMM [O-]c1ccc(Cl)cc1-c1ncc2c(n1)CNC2 ZINC001245049069 971603524 /nfs/dbraw/zinc/60/35/24/971603524.db2.gz LFPGUYQXLXWRMI-UHFFFAOYSA-N -1 1 247.685 2.106 20 0 BEADMM CCC(=O)[C@H](CC)Oc1[n-]c(=S)ncc1F ZINC001227383864 1169625235 /nfs/dbraw/zinc/62/52/35/1169625235.db2.gz SLYUIBVUVHUNQO-QMMMGPOBSA-N -1 1 244.291 2.041 20 0 BEADMM Cc1nc2[nH]cnc2c(O[C@@H](C)C2=CC=C[CH]2)n1 ZINC001229438015 1169661377 /nfs/dbraw/zinc/66/13/77/1169661377.db2.gz AQBWGXCYBZLTNL-QMMMGPOBSA-N -1 1 241.274 2.129 20 0 BEADMM CC1=C(C)C[N@@H+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000382500023 971817731 /nfs/dbraw/zinc/81/77/31/971817731.db2.gz OSGWCFAJUJEYLT-UHFFFAOYSA-N -1 1 246.310 2.322 20 0 BEADMM CCn1ccc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000310687854 971980108 /nfs/dbraw/zinc/98/01/08/971980108.db2.gz NTSUCAWCZNGUEC-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BEADMM CO[N-]C(=O)Cc1scnc1-c1ccccc1 ZINC001136152669 972084554 /nfs/dbraw/zinc/08/45/54/972084554.db2.gz DHRPJMWHPYTFKE-UHFFFAOYSA-N -1 1 248.307 2.030 20 0 BEADMM CCCNC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001220238268 972192808 /nfs/dbraw/zinc/19/28/08/972192808.db2.gz PALRRROYSJHGKM-UHFFFAOYSA-N -1 1 245.278 2.391 20 0 BEADMM CCC[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000396967471 957407337 /nfs/dbraw/zinc/40/73/37/957407337.db2.gz GQNFALXNZYZEEK-NSHDSACASA-N -1 1 234.299 2.192 20 0 BEADMM O=C([O-])c1ccccc1CN1CC(C(F)F)C1 ZINC000706434159 957849105 /nfs/dbraw/zinc/84/91/05/957849105.db2.gz QFNGWZNAZVRVBL-UHFFFAOYSA-N -1 1 241.237 2.082 20 0 BEADMM CCN(Cc1scnc1C)C(C)(C)C(=O)[O-] ZINC000084149573 957863156 /nfs/dbraw/zinc/86/31/56/957863156.db2.gz NZYQMFBKDWIDJE-UHFFFAOYSA-N -1 1 242.344 2.137 20 0 BEADMM Nc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001211350933 958168222 /nfs/dbraw/zinc/16/82/22/958168222.db2.gz ZCSBGKFWUIURDK-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM C/C(=C/C(=O)[O-])CN1CCc2sccc2C1 ZINC000215639660 959757000 /nfs/dbraw/zinc/75/70/00/959757000.db2.gz JBLAKVLANZEEIW-TWGQIWQCSA-N -1 1 237.324 2.137 20 0 BEADMM CC(C)=CCNCc1cc(C(=O)[O-])co1 ZINC000228841903 960043507 /nfs/dbraw/zinc/04/35/07/960043507.db2.gz SWEUDIJZJTZMLD-UHFFFAOYSA-N -1 1 209.245 2.034 20 0 BEADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)C1CCCC1 ZINC001225766031 974673159 /nfs/dbraw/zinc/67/31/59/974673159.db2.gz QUYWUVGYSXRWDL-ZETCQYMHSA-N -1 1 240.328 2.428 20 0 BEADMM CCCC[C@H](NCc1ccc(C)o1)C(=O)[O-] ZINC000233023868 960311188 /nfs/dbraw/zinc/31/11/88/960311188.db2.gz ZJXQABTYEKYLJS-NSHDSACASA-N -1 1 225.288 2.321 20 0 BEADMM CCC[C@@H](CC)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225764697 974674120 /nfs/dbraw/zinc/67/41/20/974674120.db2.gz GVAKKSPYVQMUCS-SSDOTTSWSA-N -1 1 228.317 2.428 20 0 BEADMM CC1CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140889701 960665981 /nfs/dbraw/zinc/66/59/81/960665981.db2.gz JTZYZOLBAVKAGW-UHFFFAOYSA-N -1 1 213.227 2.122 20 0 BEADMM C(O[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1nn[n-]n1 ZINC001223027487 960962859 /nfs/dbraw/zinc/96/28/59/960962859.db2.gz POCBWXHPMBETOZ-MXWKQRLJSA-N -1 1 236.319 2.075 20 0 BEADMM Cc1nsc([N-]c2cc(F)nc(F)c2)n1 ZINC001213077466 961696802 /nfs/dbraw/zinc/69/68/02/961696802.db2.gz ZFCBKAYUMDXFRS-UHFFFAOYSA-N -1 1 228.227 2.263 20 0 BEADMM O=C(N[C@@H]1CC12CCC2)c1ccc(F)c([O-])c1 ZINC001154354404 962762514 /nfs/dbraw/zinc/76/25/14/962762514.db2.gz FFOZWZHNUIHZOP-LLVKDONJSA-N -1 1 235.258 2.204 20 0 BEADMM CC(C)(O)C=CNc1c([O-])cc(F)cc1F ZINC001203217027 963145278 /nfs/dbraw/zinc/14/52/78/963145278.db2.gz AREGFDUUEKKEQR-ONEGZZNKSA-N -1 1 229.226 2.367 20 0 BEADMM CC(C)N(CC1CCC1)C(=O)c1ccc([O-])cn1 ZINC001156139218 963262100 /nfs/dbraw/zinc/26/21/00/963262100.db2.gz BDNBVAUDSFGYSX-UHFFFAOYSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@H](NCc1oncc1C(=O)[O-])c1ccccc1 ZINC000310738562 963429553 /nfs/dbraw/zinc/42/95/53/963429553.db2.gz QBSVYOXIYUGGTQ-VIFPVBQESA-N -1 1 246.266 2.224 20 0 BEADMM CCc1cnc(NC(=O)c2ccccc2[O-])o1 ZINC001157539113 963653498 /nfs/dbraw/zinc/65/34/98/963653498.db2.gz VKOOGUWDHRKFDL-UHFFFAOYSA-N -1 1 232.239 2.195 20 0 BEADMM O=c1nc(Cl)cc(Oc2cccnc2)[n-]1 ZINC001161998668 964840976 /nfs/dbraw/zinc/84/09/76/964840976.db2.gz MDMKHBDIRHVLGQ-UHFFFAOYSA-N -1 1 223.619 2.023 20 0 BEADMM [O-]c1cc(CN2C[C@H]3C[C@@H](C2)O3)ccc1Cl ZINC001231737190 965283226 /nfs/dbraw/zinc/28/32/26/965283226.db2.gz NXCKCPAJSSTSKE-AOOOYVTPSA-N -1 1 239.702 2.019 20 0 BEADMM FC(F)(F)c1nnc([N-]c2cn[nH]c2)s1 ZINC001163920828 965632627 /nfs/dbraw/zinc/63/26/27/965632627.db2.gz QCDXSMYXTZLRNQ-UHFFFAOYSA-N -1 1 235.194 2.024 20 0 BEADMM O=C(c1ccc(F)c([O-])c1)N1CCC(F)(F)C1 ZINC001295768389 1169892736 /nfs/dbraw/zinc/89/27/36/1169892736.db2.gz KJGITCDKIOMWBK-UHFFFAOYSA-N -1 1 245.200 2.013 20 0 BEADMM Cc1cnc(-c2ccc(C)cc2[O-])nc1 ZINC000715549492 967156859 /nfs/dbraw/zinc/15/68/59/967156859.db2.gz PJWYBQMLFURERY-UHFFFAOYSA-N -1 1 200.241 2.466 20 0 BEADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccncc1[O-] ZINC000163002378 967265340 /nfs/dbraw/zinc/26/53/40/967265340.db2.gz FDGDMSCIIRRYQS-WDEREUQCSA-N -1 1 248.326 2.343 20 0 BEADMM Cn1cnc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250017412 967277030 /nfs/dbraw/zinc/27/70/30/967277030.db2.gz BLISDYSKCRQFRT-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM CCn1nccc1[N-]c1nnc(-c2ccco2)o1 ZINC001205268667 967462992 /nfs/dbraw/zinc/46/29/92/967462992.db2.gz SKYXHPVOCYBDDI-UHFFFAOYSA-N -1 1 245.242 2.290 20 0 BEADMM O=C([O-])c1sccc1-c1cccc2[nH]nnc21 ZINC001205585644 967709110 /nfs/dbraw/zinc/70/91/10/967709110.db2.gz GJUBACWHPKFNTO-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM CCOc1ccnc(-c2ccc([O-])cc2F)n1 ZINC001206030372 967996000 /nfs/dbraw/zinc/99/60/00/967996000.db2.gz VBESLMHMGQFUHH-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM [O-]c1ccc(-c2cncnc2)c(F)c1F ZINC001250598622 968136755 /nfs/dbraw/zinc/13/67/55/968136755.db2.gz MHUQHWDHQNOMHB-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM NC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001250612514 968158331 /nfs/dbraw/zinc/15/83/31/968158331.db2.gz DBVZZACSBRKGRD-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM [O-]c1cc(F)c(-c2ccc3ncnn3c2)cc1F ZINC001206775726 968465943 /nfs/dbraw/zinc/46/59/43/968465943.db2.gz IELKAXBNWRUUNX-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM COC(=O)c1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240694404 968643712 /nfs/dbraw/zinc/64/37/12/968643712.db2.gz RDKISLXMYPIQEL-UHFFFAOYSA-N -1 1 247.225 2.380 20 0 BEADMM CS(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001252643530 968891503 /nfs/dbraw/zinc/89/15/03/968891503.db2.gz OIYISIJNDKSCTC-UHFFFAOYSA-N -1 1 248.307 2.120 20 0 BEADMM CCS(=O)(=O)[N-]c1ccc(Cl)s1 ZINC001253284898 969129564 /nfs/dbraw/zinc/12/95/64/969129564.db2.gz SMKUHMFMLYOGEG-UHFFFAOYSA-N -1 1 225.722 2.163 20 0 BEADMM Cc1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001253375510 969144242 /nfs/dbraw/zinc/14/42/42/969144242.db2.gz JHGZSCQLXKUBCQ-UHFFFAOYSA-N -1 1 210.620 2.404 20 0 BEADMM COc1c(Cl)ccc([O-])c1-c1nnc(C)o1 ZINC001253456886 969182361 /nfs/dbraw/zinc/18/23/61/969182361.db2.gz KJNRFEXNIRYLFK-UHFFFAOYSA-N -1 1 240.646 2.413 20 0 BEADMM Cc1cnc(CN)n1-c1cc(F)ccc1[S-] ZINC001169031012 969353529 /nfs/dbraw/zinc/35/35/29/969353529.db2.gz UOUIODIFCYLUPH-UHFFFAOYSA-N -1 1 237.303 2.067 20 0 BEADMM CC(C)(C)[C@H](O)CNc1cc([O-])c(F)c(F)c1 ZINC001253734665 969356343 /nfs/dbraw/zinc/35/63/43/969356343.db2.gz GSYUEKIRIIOECL-SNVBAGLBSA-N -1 1 245.269 2.489 20 0 BEADMM [O-]c1cc(F)ccc1-c1c[nH]cc2ncnc1-2 ZINC001242220708 969383330 /nfs/dbraw/zinc/38/33/30/969383330.db2.gz MGEZXFUVFOPCMU-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM Cc1cnn(-c2ccc(Cl)c([O-])c2)c1N ZINC001212588694 969572782 /nfs/dbraw/zinc/57/27/82/969572782.db2.gz YWYJAJWDVOFCPH-UHFFFAOYSA-N -1 1 223.663 2.122 20 0 BEADMM COc1nonc1[N-]c1cc(OC)ccc1C ZINC001209839402 969648519 /nfs/dbraw/zinc/64/85/19/969648519.db2.gz QUEWGTFCHSNUDA-UHFFFAOYSA-N -1 1 235.243 2.139 20 0 BEADMM O=c1cc[nH]cc1Nc1cccc(Cl)c1[O-] ZINC001210220267 969837977 /nfs/dbraw/zinc/83/79/77/969837977.db2.gz PZOUIBZYLKTHRB-UHFFFAOYSA-N -1 1 236.658 2.478 20 0 BEADMM CC(C)n1ccc(Nc2ncc(F)cc2[O-])n1 ZINC001210342163 969870417 /nfs/dbraw/zinc/87/04/17/969870417.db2.gz RJPGPFXTLUVWOT-UHFFFAOYSA-N -1 1 236.250 2.447 20 0 BEADMM Cc1nnc([N-]c2ccnc(OC3CC3)c2)o1 ZINC001210746258 970013826 /nfs/dbraw/zinc/01/38/26/970013826.db2.gz GRXPXDWGOYCIJG-UHFFFAOYSA-N -1 1 232.243 2.058 20 0 BEADMM C/C=C(\C)n1[n-]c(=O)c2ccc(N)cc21 ZINC001210796841 970038466 /nfs/dbraw/zinc/03/84/66/970038466.db2.gz WPGWNWPIAWWFER-XVNBXDOJSA-N -1 1 203.245 2.205 20 0 BEADMM Cc1ncn(-c2cccc([S-])c2)c1N ZINC001210946668 970084002 /nfs/dbraw/zinc/08/40/02/970084002.db2.gz UONWDPBHAKCUIY-UHFFFAOYSA-N -1 1 205.286 2.052 20 0 BEADMM Cc1nonc1[N-]c1cnccc1C1CC1 ZINC001213869331 970394092 /nfs/dbraw/zinc/39/40/92/970394092.db2.gz PMAWDDKJPCIHLT-UHFFFAOYSA-N -1 1 216.244 2.394 20 0 BEADMM Nc1ccc(F)cc1[N-]c1nonc1C1CC1 ZINC001214199997 970466869 /nfs/dbraw/zinc/46/68/69/970466869.db2.gz HEPVHCYJMFUGRC-UHFFFAOYSA-N -1 1 234.234 2.412 20 0 BEADMM CCOc1cc([N-]c2nonc2N)ccc1C ZINC001214321109 970482588 /nfs/dbraw/zinc/48/25/88/970482588.db2.gz QIXGMYLNZFFRAL-UHFFFAOYSA-N -1 1 234.259 2.103 20 0 BEADMM CCC[C@H]1CCCC[C@H]1OCc1nn[n-]n1 ZINC001223026950 972804201 /nfs/dbraw/zinc/80/42/01/972804201.db2.gz KJSOIUKQEGQHTA-VHSXEESVSA-N -1 1 224.308 2.075 20 0 BEADMM CN(Cc1c(F)cc([O-])cc1F)CC(F)F ZINC001144567448 972876026 /nfs/dbraw/zinc/87/60/26/972876026.db2.gz KTLKVOBWZYZHSV-UHFFFAOYSA-N -1 1 237.196 2.367 20 0 BEADMM C[C@@H]1C[C@H]1c1ccc(CN2CC(C)(C(=O)[O-])C2)o1 ZINC000399329689 973215326 /nfs/dbraw/zinc/21/53/26/973215326.db2.gz NWPDUAMMIQFSRG-MWLCHTKSSA-N -1 1 249.310 2.310 20 0 BEADMM CC[C@@H](C)CC[C@H](C)OCC[P@](=O)([O-])O ZINC001224601022 973785958 /nfs/dbraw/zinc/78/59/58/973785958.db2.gz DAEQERNHTIRQNS-ZJUUUORDSA-N -1 1 238.264 2.396 20 0 BEADMM CCCC[C@@H](CC)OCC[P@](=O)([O-])O ZINC001224606331 973793718 /nfs/dbraw/zinc/79/37/18/973793718.db2.gz OKFOVYKOTGSJSW-SECBINFHSA-N -1 1 224.237 2.150 20 0 BEADMM 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2.387 20 0 BEADMM Cc1nc2cnc(-c3ccc([O-])c(F)c3)nc2[nH]1 ZINC001240782338 981819450 /nfs/dbraw/zinc/81/94/50/981819450.db2.gz WLKCRJZCNRWNMH-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM COc1cc(-c2ccc([O-])c(F)c2)nc(C)n1 ZINC001240783152 981821686 /nfs/dbraw/zinc/82/16/86/981821686.db2.gz MQDMNSMEBATADN-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM CN(C)c1nccnc1-c1ccc([O-])c(F)c1 ZINC001240783471 981821952 /nfs/dbraw/zinc/82/19/52/981821952.db2.gz SAVJZWZBJWBJBL-UHFFFAOYSA-N -1 1 233.246 2.054 20 0 BEADMM [O-]c1ccc(-c2ncc3cc[nH]c3n2)cc1F ZINC001240783175 981823275 /nfs/dbraw/zinc/82/32/75/981823275.db2.gz NMLCZGFAKJUMJQ-UHFFFAOYSA-N -1 1 229.214 2.421 20 0 BEADMM [O-]c1ccc(-c2cc3nccc-3[n-][nH+]2)cc1F ZINC001240786422 981827609 /nfs/dbraw/zinc/82/76/09/981827609.db2.gz RVCACKVYSUKRKE-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)c([O-])c1 ZINC001583617683 981829558 /nfs/dbraw/zinc/82/95/58/981829558.db2.gz LSYCWCKUGIYLOL-FBIMIBRVSA-N -1 1 249.285 2.450 20 0 BEADMM Cc1noc2ncnc(-c3ccc([O-])c(F)c3)c12 ZINC001240786608 981829496 /nfs/dbraw/zinc/82/94/96/981829496.db2.gz WMWPZVZRGDGGDZ-UHFFFAOYSA-N -1 1 245.213 2.438 20 0 BEADMM COc1ncnc(C)c1-c1ccc([O-])c(F)c1 ZINC001240787131 981833355 /nfs/dbraw/zinc/83/33/55/981833355.db2.gz MZMUJVMQROFUGZ-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM CC(C)CCOC(=O)Nc1ncccc1[O-] ZINC001194844018 981955356 /nfs/dbraw/zinc/95/53/56/981955356.db2.gz ZSLCGGLAEAFPRY-UHFFFAOYSA-N -1 1 224.260 2.382 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])OCCF ZINC001194967188 982005042 /nfs/dbraw/zinc/00/50/42/982005042.db2.gz NIXPWWOSSMAYGB-UHFFFAOYSA-N -1 1 217.171 2.049 20 0 BEADMM Cc1ccc(C)c(NC(=O)c2cnncc2[O-])c1 ZINC001587037070 982043669 /nfs/dbraw/zinc/04/36/69/982043669.db2.gz UUPPAYFLMSDCSL-UHFFFAOYSA-N -1 1 243.266 2.051 20 0 BEADMM CC(C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001587036572 982044238 /nfs/dbraw/zinc/04/42/38/982044238.db2.gz HHPGLMTWZKITSA-UHFFFAOYSA-N -1 1 230.267 2.079 20 0 BEADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([O-])cn1 ZINC001587142102 982055409 /nfs/dbraw/zinc/05/54/09/982055409.db2.gz STUKYSPBRHZONF-VHSXEESVSA-N -1 1 234.299 2.048 20 0 BEADMM O=C(NCCCCC1CC1)c1ccc([O-])cn1 ZINC001587414934 982071655 /nfs/dbraw/zinc/07/16/55/982071655.db2.gz GDQNVRKFXRAEIV-UHFFFAOYSA-N -1 1 234.299 2.097 20 0 BEADMM Cc1nc2cnc(-c3ccc(C)cc3[O-])nc2[nH]1 ZINC001241036246 982136932 /nfs/dbraw/zinc/13/69/32/982136932.db2.gz RBHDMRYKZHHWEJ-UHFFFAOYSA-N -1 1 240.266 2.294 20 0 BEADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2O)n1 ZINC001195325994 982179293 /nfs/dbraw/zinc/17/92/93/982179293.db2.gz JUCRAAUXRQHXGV-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM Nc1cnc(-c2c(F)cc([O-])cc2F)c(F)c1 ZINC001241117988 982237675 /nfs/dbraw/zinc/23/76/75/982237675.db2.gz BKTBGAWHSMUPMQ-UHFFFAOYSA-N -1 1 240.184 2.454 20 0 BEADMM O=C([N-]c1cnoc1)c1c(F)cncc1Cl ZINC001195468988 982280737 /nfs/dbraw/zinc/28/07/37/982280737.db2.gz ZZEIFCJVNJDXOP-UHFFFAOYSA-N -1 1 241.609 2.114 20 0 BEADMM CCN(C)c1ccnc(-c2cc([O-])cc(F)c2)n1 ZINC001241258332 982395419 /nfs/dbraw/zinc/39/54/19/982395419.db2.gz ZGXDLLBIYPVUPE-UHFFFAOYSA-N -1 1 247.273 2.444 20 0 BEADMM Cc1nc2cnc(-c3cc([O-])cc(F)c3)nc2[nH]1 ZINC001241262444 982400974 /nfs/dbraw/zinc/40/09/74/982400974.db2.gz LSFZMFNDKIUJCC-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM COc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241289712 982423558 /nfs/dbraw/zinc/42/35/58/982423558.db2.gz DOPMEOBHVNQGEH-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Nc1cc(-c2c(F)ccc([O-])c2F)ncc1F ZINC001241289687 982428370 /nfs/dbraw/zinc/42/83/70/982428370.db2.gz YAKDUBOAKPOHNJ-UHFFFAOYSA-N -1 1 240.184 2.454 20 0 BEADMM Cc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290696 982430329 /nfs/dbraw/zinc/43/03/29/982430329.db2.gz BJALMGNWCQIDOI-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM CC(C)c1oncc1C(=O)[N-]c1cnoc1 ZINC001199744276 983005637 /nfs/dbraw/zinc/00/56/37/983005637.db2.gz VTXIKRGTUIGNAP-UHFFFAOYSA-N -1 1 221.216 2.038 20 0 BEADMM Nc1ccc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001201285138 983161685 /nfs/dbraw/zinc/16/16/85/983161685.db2.gz BDALNNCYUXEIGI-UHFFFAOYSA-N -1 1 237.209 2.391 20 0 BEADMM [O-]c1ccc(NC(=S)NC2CC2)c(F)c1F ZINC001200629939 983278635 /nfs/dbraw/zinc/27/86/35/983278635.db2.gz YTKALELBYZUTIM-UHFFFAOYSA-N -1 1 244.266 2.119 20 0 BEADMM O=c1cc2[nH]c(-c3ccc(F)cc3[O-])ccc-2[nH]1 ZINC001242216567 983411684 /nfs/dbraw/zinc/41/16/84/983411684.db2.gz XRPZZYBZUNMSIA-UHFFFAOYSA-N -1 1 244.225 2.088 20 0 BEADMM COc1ncc(-c2cccc(F)c2[O-])c(C)n1 ZINC001242351951 983626285 /nfs/dbraw/zinc/62/62/85/983626285.db2.gz DJAGSODSRHFERD-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM NC(=O)c1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242366369 983657368 /nfs/dbraw/zinc/65/73/68/983657368.db2.gz KZGDWXZRFIKQGA-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM NC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242364805 983657760 /nfs/dbraw/zinc/65/77/60/983657760.db2.gz PWXIBPJEERQTQB-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM CC(C)(C)NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001202470740 983677910 /nfs/dbraw/zinc/67/79/10/983677910.db2.gz HGQYKNASGBTWOY-UHFFFAOYSA-N -1 1 243.694 2.361 20 0 BEADMM CCN(CC)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001596277836 983699131 /nfs/dbraw/zinc/69/91/31/983699131.db2.gz NCLSOGSNILDPKY-UHFFFAOYSA-N -1 1 247.298 2.103 20 0 BEADMM Cn1cccc(-c2cccc([O-])c2Cl)c1=O ZINC001242800955 984169481 /nfs/dbraw/zinc/16/94/81/984169481.db2.gz QOJJFSNLPZYKHW-UHFFFAOYSA-N -1 1 235.670 2.411 20 0 BEADMM COc1cc(-c2nnc(C)o2)cc(Cl)c1[O-] ZINC001253463389 984178995 /nfs/dbraw/zinc/17/89/95/984178995.db2.gz RGJHWFGRKOXPMR-UHFFFAOYSA-N -1 1 240.646 2.413 20 0 BEADMM [S-]c1cccc(-c2ncnc3c2CNC3)c1 ZINC001242866137 984212239 /nfs/dbraw/zinc/21/22/39/984212239.db2.gz ZGRQVTIJJDFXKI-UHFFFAOYSA-N -1 1 229.308 2.036 20 0 BEADMM Cc1coc(CN[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000718050175 984384683 /nfs/dbraw/zinc/38/46/83/984384683.db2.gz AJLGCGFTUUTKKX-NSHDSACASA-N -1 1 225.288 2.177 20 0 BEADMM O=C(NC1CCC=CCC1)c1ncccc1[O-] ZINC000718079271 984387864 /nfs/dbraw/zinc/38/78/64/984387864.db2.gz TXJIBWLMADYTLO-UHFFFAOYSA-N -1 1 232.283 2.016 20 0 BEADMM COc1nc(-c2ccc(F)c([O-])c2)ncc1F ZINC001243047260 984390398 /nfs/dbraw/zinc/39/03/98/984390398.db2.gz DQXLYNXJPVEAEI-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM CCOc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243049604 984400430 /nfs/dbraw/zinc/40/04/30/984400430.db2.gz LYOXMMMUTCBRHC-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM Cc1cc(N(C)C)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243051018 984415597 /nfs/dbraw/zinc/41/55/97/984415597.db2.gz ZTFNQOMEDPQLPB-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM Cn1ccc2nc(-c3ccc(F)c([O-])c3)ncc21 ZINC001243054311 984420015 /nfs/dbraw/zinc/42/00/15/984420015.db2.gz MWQAXCYBKOFAIT-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1cc(-c2ncc3c(n2)CCC3)ccc1F ZINC001243054258 984424407 /nfs/dbraw/zinc/42/44/07/984424407.db2.gz LUJOZOHFTBIDCA-UHFFFAOYSA-N -1 1 230.242 2.477 20 0 BEADMM [O-]c1ccc(-c2cncc3nccn32)c(F)c1F ZINC001243342449 984834065 /nfs/dbraw/zinc/83/40/65/984834065.db2.gz KGNUANGFPJDMRT-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Nc1ncccc1-c1ccc([O-])c(F)c1F ZINC001243343119 984834719 /nfs/dbraw/zinc/83/47/19/984834719.db2.gz XCJPEBHRCOHQRR-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM [O-]c1ccc(-c2ccnc3c2CCN3)c(F)c1F ZINC001243344278 984838024 /nfs/dbraw/zinc/83/80/24/984838024.db2.gz BWJKJJGNXUUTJZ-UHFFFAOYSA-N -1 1 248.232 2.343 20 0 BEADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ncccc1[O-] ZINC001452915473 984968646 /nfs/dbraw/zinc/96/86/46/984968646.db2.gz WQXODKLLWLJHNC-VHSXEESVSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H](F)C1 ZINC001452909922 984971591 /nfs/dbraw/zinc/97/15/91/984971591.db2.gz DZSCMCSTWVNJOR-MRVPVSSYSA-N -1 1 241.237 2.105 20 0 BEADMM Nc1ccnc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243499292 985054015 /nfs/dbraw/zinc/05/40/15/985054015.db2.gz FGXJACHHMJHJBD-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cccc2ncnn21 ZINC001243502666 985061170 /nfs/dbraw/zinc/06/11/70/985061170.db2.gz NGLOSMSLSBAZTI-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Cn1ccc2nc(-c3cccc([O-])c3F)ncc21 ZINC001243543742 985074800 /nfs/dbraw/zinc/07/48/00/985074800.db2.gz XEYGSIFOFVZHQA-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1cccc(-c2ncc3[nH]ccc3n2)c1F ZINC001243542523 985077552 /nfs/dbraw/zinc/07/75/52/985077552.db2.gz NHFXOKMEBPNIJO-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM [O-]c1cc(-c2nccc3n[nH]nc32)ccc1Cl ZINC001243576184 985129132 /nfs/dbraw/zinc/12/91/32/985129132.db2.gz FALXWKQPVDTAIT-UHFFFAOYSA-N -1 1 246.657 2.379 20 0 BEADMM Nc1ccc(-c2ccc(Cl)c([O-])c2)nn1 ZINC001243579714 985135914 /nfs/dbraw/zinc/13/59/14/985135914.db2.gz YCDSJUALFCCCGU-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM [O-]c1cc(-c2cncc3nncn32)ccc1Cl ZINC001243582684 985140901 /nfs/dbraw/zinc/14/09/01/985140901.db2.gz CQTRSVQDGPQMRI-UHFFFAOYSA-N -1 1 246.657 2.150 20 0 BEADMM Nc1ncc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243581015 985141465 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CFGAAYMKWCSDFY-UHFFFAOYSA-N -1 1 227.333 2.428 20 0 BEADMM CN(C(=O)c1ncccc1[O-])C(C1CC1)C1CC1 ZINC000153700481 172348936 /nfs/dbraw/zinc/34/89/36/172348936.db2.gz RJGDLSHXZRVOMF-UHFFFAOYSA-N -1 1 246.310 2.048 20 0 BEADMM CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000095711499 172389381 /nfs/dbraw/zinc/38/93/81/172389381.db2.gz MLEKRKIDDKXYLG-UHFFFAOYSA-N -1 1 233.189 2.113 20 0 BEADMM COCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000277679985 174259884 /nfs/dbraw/zinc/25/98/84/174259884.db2.gz YKKALAQWXYAZCC-UHFFFAOYSA-N -1 1 240.328 2.188 20 0 BEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ncccc1[O-] ZINC000042610591 176077423 /nfs/dbraw/zinc/07/74/23/176077423.db2.gz XXDQBNJMSVTKIP-MNOVXSKESA-N -1 1 248.326 2.438 20 0 BEADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000037760566 176087887 /nfs/dbraw/zinc/08/78/87/176087887.db2.gz UGKIHERWNLZIDI-NXEZZACHSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1C ZINC000175269603 176162458 /nfs/dbraw/zinc/16/24/58/176162458.db2.gz 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/nfs/dbraw/zinc/70/72/97/487707297.db2.gz YKKCJANSRDDYQS-IUCAKERBSA-N -1 1 237.274 2.402 20 0 BEADMM Cc1cncc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681055095 487707737 /nfs/dbraw/zinc/70/77/37/487707737.db2.gz SOTQIGYWLFPKRE-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CC[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054326 487708379 /nfs/dbraw/zinc/70/83/79/487708379.db2.gz MYLRCXSZEZIRJF-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](C2CC2)C1 ZINC000681063454 487709932 /nfs/dbraw/zinc/70/99/32/487709932.db2.gz ZEQNHHNJDPUPNO-LLVKDONJSA-N -1 1 249.285 2.403 20 0 BEADMM Cc1occc1CNC(=O)c1c([O-])cccc1F ZINC000681228855 487753410 /nfs/dbraw/zinc/75/34/10/487753410.db2.gz VOZUNCOKDZJDPH-UHFFFAOYSA-N -1 1 249.241 2.363 20 0 BEADMM CC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195086176 487764128 /nfs/dbraw/zinc/76/41/28/487764128.db2.gz MHQUJYPAHHORDT-SSDOTTSWSA-N -1 1 238.312 2.129 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)nc1 ZINC000681017345 487799003 /nfs/dbraw/zinc/79/90/03/487799003.db2.gz SOKNVLUDDVFBLQ-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000684333478 487828952 /nfs/dbraw/zinc/82/89/52/487828952.db2.gz BOFVTOVOGQRJFO-OCAPTIKFSA-N -1 1 223.247 2.154 20 0 BEADMM CO[C@H](C)c1nc(=NC2CC(C)(C)C2)s[n-]1 ZINC000395177997 487841654 /nfs/dbraw/zinc/84/16/54/487841654.db2.gz LPVNAXVSOVLMHF-SSDOTTSWSA-N -1 1 241.360 2.268 20 0 BEADMM Cc1cnc(C(=O)N2CCC[C@H]2C2CC2)c([O-])c1 ZINC000681727753 487849796 /nfs/dbraw/zinc/84/97/96/487849796.db2.gz FWGBNNBOJBFVQA-NSHDSACASA-N -1 1 246.310 2.110 20 0 BEADMM CC(C)C(NC(=O)c1ncccc1[O-])C(C)C ZINC000681738900 487850613 /nfs/dbraw/zinc/85/06/13/487850613.db2.gz GDEBFNOKJLPVDS-UHFFFAOYSA-N -1 1 236.315 2.198 20 0 BEADMM O=C([O-])[C@H]1CCN(Cc2ccsc2Cl)C1 ZINC000306258860 487871808 /nfs/dbraw/zinc/87/18/08/487871808.db2.gz RNIXDHXZRYDNDA-QMMMGPOBSA-N -1 1 245.731 2.308 20 0 BEADMM Cc1ccn(C)c1C(=O)Nc1c([O-])cccc1F ZINC000682242136 487934759 /nfs/dbraw/zinc/93/47/59/487934759.db2.gz ZDODKUYQCLIFCD-UHFFFAOYSA-N -1 1 248.257 2.431 20 0 BEADMM O=C([O-])c1cc(CN2CC=CCC2)cs1 ZINC000652392804 487942539 /nfs/dbraw/zinc/94/25/39/487942539.db2.gz APQMFQSNIHYRGP-UHFFFAOYSA-N -1 1 223.297 2.208 20 0 BEADMM CC[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000572601954 323036158 /nfs/dbraw/zinc/03/61/58/323036158.db2.gz CLKKSJJGQXUNHP-FBIMIBRVSA-N -1 1 237.299 2.356 20 0 BEADMM CC[C@H](C)CNC(=O)c1cc(F)ccc1[O-] ZINC000149980464 323038368 /nfs/dbraw/zinc/03/83/68/323038368.db2.gz IYWPIEZPBWHICO-QMMMGPOBSA-N -1 1 225.263 2.307 20 0 BEADMM Cc1cccc(CSc2ncc(C)c(=O)[n-]2)n1 ZINC000570291257 323055475 /nfs/dbraw/zinc/05/54/75/323055475.db2.gz ACBMBQOAOGFRGC-UHFFFAOYSA-N -1 1 247.323 2.486 20 0 BEADMM O=C(NCC1(C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000120560266 323989143 /nfs/dbraw/zinc/98/91/43/323989143.db2.gz YGFWAUDCEALKJD-UHFFFAOYSA-N -1 1 249.285 2.451 20 0 BEADMM O=C(N[C@H]1C=CCCC1)c1c([O-])cccc1F ZINC000129336415 324937883 /nfs/dbraw/zinc/93/78/83/324937883.db2.gz DDJYLGXVTIADBK-VIFPVBQESA-N -1 1 235.258 2.370 20 0 BEADMM Cc1cnc(C(=O)N2CC3(C2)CCCC3)c([O-])c1 ZINC000547982927 325418007 /nfs/dbraw/zinc/41/80/07/325418007.db2.gz QHSLCDUWNPIOAJ-UHFFFAOYSA-N -1 1 246.310 2.112 20 0 BEADMM Cc1cccc(N(C)C(=O)c2ccccc2[O-])n1 ZINC000552389701 325629517 /nfs/dbraw/zinc/62/95/17/325629517.db2.gz QJYRCLBIKASESV-UHFFFAOYSA-N -1 1 242.278 2.372 20 0 BEADMM CC[C@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000154844870 326167553 /nfs/dbraw/zinc/16/75/53/326167553.db2.gz UVBYEZFIEQNOOF-QMMMGPOBSA-N -1 1 225.263 2.402 20 0 BEADMM Cc1cc(F)ccc1C(=O)Nc1ccncc1[O-] ZINC000155872174 326213851 /nfs/dbraw/zinc/21/38/51/326213851.db2.gz WSRSYNAKVXQOOV-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM O=C(c1cc2ccccc2cc1[O-])N1CCCO1 ZINC000158848241 326344518 /nfs/dbraw/zinc/34/45/18/326344518.db2.gz YMXDGIFTMZPBKW-UHFFFAOYSA-N -1 1 243.262 2.323 20 0 BEADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000685485848 487538492 /nfs/dbraw/zinc/53/84/92/487538492.db2.gz QSUWRZCVXRHLKW-UHFFFAOYSA-N -1 1 241.237 2.152 20 0 BEADMM CO[C@H](C)CCC(=O)Nc1c([O-])cccc1F ZINC000679900489 487482599 /nfs/dbraw/zinc/48/25/99/487482599.db2.gz KOXLIKBLDAXNDL-MRVPVSSYSA-N -1 1 241.262 2.285 20 0 BEADMM CC(C)N(Cc1ncccc1[O-])CC(F)F ZINC000685420549 487519844 /nfs/dbraw/zinc/51/98/44/487519844.db2.gz JFMPAYCKIPZYKE-UHFFFAOYSA-N -1 1 230.258 2.263 20 0 BEADMM CCc1cc(NC(=O)c2ccccc2[O-])no1 ZINC000678312919 488239988 /nfs/dbraw/zinc/23/99/88/488239988.db2.gz OXWBVSCHDQTDPC-UHFFFAOYSA-N -1 1 232.239 2.195 20 0 BEADMM Cc1occc1CNC(=O)c1cc(F)ccc1[O-] ZINC000080004071 490561363 /nfs/dbraw/zinc/56/13/63/490561363.db2.gz RZRIARSKHWVDOR-UHFFFAOYSA-N -1 1 249.241 2.363 20 0 BEADMM Cn1cccc1C(=O)Nc1c([O-])cccc1F ZINC000089541444 491115052 /nfs/dbraw/zinc/11/50/52/491115052.db2.gz YMZOILBOUBUUBG-UHFFFAOYSA-N -1 1 234.230 2.122 20 0 BEADMM CC1([N-]C(=O)C(F)(F)F)Cc2ccccc2C1 ZINC000114732544 588881445 /nfs/dbraw/zinc/88/14/45/588881445.db2.gz WXAPHLBKQULQIY-UHFFFAOYSA-N -1 1 243.228 2.222 20 0 BEADMM CC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858308974 588943766 /nfs/dbraw/zinc/94/37/66/588943766.db2.gz XGUYKEVDYPKSNF-YFKPBYRVSA-N -1 1 201.657 2.046 20 0 BEADMM CCC1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858358765 588948186 /nfs/dbraw/zinc/94/81/86/588948186.db2.gz IIYIRWSPXYTKOS-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM O=c1nc(N[C@H]2CC=CCC2)cc(Cl)[n-]1 ZINC000858416581 588952886 /nfs/dbraw/zinc/95/28/86/588952886.db2.gz WSQCGQIPDUWVLC-ZETCQYMHSA-N -1 1 225.679 2.356 20 0 BEADMM C[C@@H]1CN(c2cc(Cl)[n-]c(=O)n2)C(C)(C)C1 ZINC000858431755 588954239 /nfs/dbraw/zinc/95/42/39/588954239.db2.gz HLOVADBUIABUND-ZETCQYMHSA-N -1 1 241.722 2.460 20 0 BEADMM CSC(C)(C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858430989 588954264 /nfs/dbraw/zinc/95/42/64/588954264.db2.gz LVYHPNBEGNWLCQ-UHFFFAOYSA-N -1 1 247.751 2.389 20 0 BEADMM CC(C)(C)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898571386 584141926 /nfs/dbraw/zinc/14/19/26/584141926.db2.gz HGVQNSOUFZBHFL-UHFFFAOYSA-N -1 1 211.236 2.282 20 0 BEADMM CC1(C)C[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858568107 588967280 /nfs/dbraw/zinc/96/72/80/588967280.db2.gz MYPJVZIMCVASSM-YFKPBYRVSA-N -1 1 213.668 2.046 20 0 BEADMM C[C@]1(CNc2cc(Cl)[n-]c(=O)n2)CC1(F)F ZINC000858626945 588971807 /nfs/dbraw/zinc/97/18/07/588971807.db2.gz GGVWBDOXDQCECJ-MRVPVSSYSA-N -1 1 249.648 2.293 20 0 BEADMM CC(C)(F)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858626428 588971904 /nfs/dbraw/zinc/97/19/04/588971904.db2.gz CANCXGBDBJXYFW-UHFFFAOYSA-N -1 1 233.674 2.386 20 0 BEADMM CCCc1cc(=O)[n-]c(S[C@H](C)OC)n1 ZINC000901382239 584435766 /nfs/dbraw/zinc/43/57/66/584435766.db2.gz ZKEIBZRESORTLP-SSDOTTSWSA-N -1 1 228.317 2.219 20 0 BEADMM CCO[C@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000901536404 584460329 /nfs/dbraw/zinc/46/03/29/584460329.db2.gz JDCUMODKICRLST-ZETCQYMHSA-N -1 1 228.317 2.219 20 0 BEADMM CCc1nc(S[C@@H](C)OC)[n-]c(=O)c1C ZINC000901563533 584463542 /nfs/dbraw/zinc/46/35/42/584463542.db2.gz PEYDVHPTHKRDDP-ZETCQYMHSA-N -1 1 228.317 2.138 20 0 BEADMM COC/C(C)=C/CSc1ncc(C)c(=O)[n-]1 ZINC000901571316 584466350 /nfs/dbraw/zinc/46/63/50/584466350.db2.gz UWTNODLWNQZIFV-XBXARRHUSA-N -1 1 240.328 2.175 20 0 BEADMM CC(C)N(CC(=O)[O-])Cc1cc2cnccc2o1 ZINC000901977810 584508864 /nfs/dbraw/zinc/50/88/64/584508864.db2.gz VNAVRDRNOWJYSI-UHFFFAOYSA-N -1 1 248.282 2.123 20 0 BEADMM CCc1oc(C[N@@H+]2CC=CCC2)cc1C(=O)[O-] ZINC000902128595 584529625 /nfs/dbraw/zinc/52/96/25/584529625.db2.gz AADHBUSBBGNCIV-UHFFFAOYSA-N -1 1 235.283 2.302 20 0 BEADMM CCc1oc(CN2CC=CCC2)cc1C(=O)[O-] ZINC000902128595 584529626 /nfs/dbraw/zinc/52/96/26/584529626.db2.gz AADHBUSBBGNCIV-UHFFFAOYSA-N -1 1 235.283 2.302 20 0 BEADMM CC/C=C\CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902280078 584547440 /nfs/dbraw/zinc/54/74/40/584547440.db2.gz NKHZUYGYTFNBQK-ODYTWBPASA-N -1 1 235.283 2.433 20 0 BEADMM Cc1oc(C(=O)[O-])cc1CNCC(C)(C)F ZINC000902277026 584550916 /nfs/dbraw/zinc/55/09/16/584550916.db2.gz QXAHJCWAKQDSLZ-UHFFFAOYSA-N -1 1 229.251 2.124 20 0 BEADMM C[C@H](NCC(F)(F)C(C)(C)C)[C@H]1C[C@H]1C(=O)[O-] ZINC000902470675 584616181 /nfs/dbraw/zinc/61/61/81/584616181.db2.gz PBBLOSHZVQHTTI-DJLDLDEBSA-N -1 1 249.301 2.367 20 0 BEADMM O=C([O-])[C@H](c1ccsc1)N1CC[C@H](CF)C1 ZINC000903611419 584787869 /nfs/dbraw/zinc/78/78/69/584787869.db2.gz MOOHEMFODUCISC-SCZZXKLOSA-N -1 1 243.303 2.165 20 0 BEADMM CC1(C)CN(C(=O)[O-])CCN1Cc1ccccc1 ZINC000736735390 585011250 /nfs/dbraw/zinc/01/12/50/585011250.db2.gz IOEJIDIWDUVEIR-UHFFFAOYSA-N -1 1 248.326 2.261 20 0 BEADMM C[C@]1(C(=O)[N-]O[C@H]2CCCCO2)CC=CCC1 ZINC000822925150 585027758 /nfs/dbraw/zinc/02/77/58/585027758.db2.gz ZAPOLFFVDBEGOE-AAEUAGOBSA-N -1 1 239.315 2.307 20 0 BEADMM Cc1ccc2oc(CN[C@H](C)C(=O)[O-])cc2c1 ZINC000740159680 585096651 /nfs/dbraw/zinc/09/66/51/585096651.db2.gz OYBBKOORQJAJCC-SECBINFHSA-N -1 1 233.267 2.304 20 0 BEADMM CO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000742043118 585121769 /nfs/dbraw/zinc/12/17/69/585121769.db2.gz VIKIPHSWQZBHGH-ZETCQYMHSA-N -1 1 247.216 2.487 20 0 BEADMM CC(C)OCCC(=O)Nc1c([O-])cccc1F ZINC000743416747 585136324 /nfs/dbraw/zinc/13/63/24/585136324.db2.gz SGJJHTSJYCBUHR-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM CCCc1cc(=O)[n-]c(SCOCC)n1 ZINC000758357324 585354664 /nfs/dbraw/zinc/35/46/64/585354664.db2.gz MPOFGSHIDXZFJY-UHFFFAOYSA-N -1 1 228.317 2.221 20 0 BEADMM O=C(Nc1ccc(F)cc1[O-])C1=CCCCO1 ZINC000768259179 585534742 /nfs/dbraw/zinc/53/47/42/585534742.db2.gz QSNHXLZMYUBTPC-UHFFFAOYSA-N -1 1 237.230 2.164 20 0 BEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc[nH]1 ZINC000768321043 585535612 /nfs/dbraw/zinc/53/56/12/585535612.db2.gz KQWAUMLYHDDJCV-QMMMGPOBSA-N -1 1 248.257 2.350 20 0 BEADMM CCCc1ccc(COC(=O)c2cn[n-]n2)cc1 ZINC000805605710 585732348 /nfs/dbraw/zinc/73/23/48/585732348.db2.gz MYQCGHJKYWKOAY-UHFFFAOYSA-N -1 1 245.282 2.114 20 0 BEADMM Cc1ccccc1[C@H](C)OC(=O)c1cn[n-]n1 ZINC000805605996 585732716 /nfs/dbraw/zinc/73/27/16/585732716.db2.gz DJSIEIOKYLVIAX-VIFPVBQESA-N -1 1 231.255 2.031 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000781624403 585801091 /nfs/dbraw/zinc/80/10/91/585801091.db2.gz ZYTOJDWGLSLYIX-PSASIEDQSA-N -1 1 237.274 2.450 20 0 BEADMM Cc1noc(C2CC2)c1C(=O)[N-]c1cnoc1 ZINC000783944868 585846074 /nfs/dbraw/zinc/84/60/74/585846074.db2.gz OWUNHHWEENABGU-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM CSCCO[N-]C(=O)[C@@H](C)c1ccsc1 ZINC000794179604 586034077 /nfs/dbraw/zinc/03/40/77/586034077.db2.gz CVMVQQZKNJUKBQ-QMMMGPOBSA-N -1 1 245.369 2.262 20 0 BEADMM CC[C@H](C)CCC(=O)[N-]OCC(F)(F)F ZINC000802767559 586313582 /nfs/dbraw/zinc/31/35/82/586313582.db2.gz RDHIJQXXHRHNKE-ZETCQYMHSA-N -1 1 227.226 2.423 20 0 BEADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccsc1 ZINC000812790674 586584942 /nfs/dbraw/zinc/58/49/42/586584942.db2.gz CVGPCFUJDXVAPB-MRVPVSSYSA-N -1 1 225.313 2.452 20 0 BEADMM O=C(Cc1c(F)cccc1F)[N-]OC1CCC1 ZINC000812793897 586585870 /nfs/dbraw/zinc/58/58/70/586585870.db2.gz JKUSIDUUUSQQCV-UHFFFAOYSA-N -1 1 241.237 2.108 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccccc1 ZINC000820402185 587046344 /nfs/dbraw/zinc/04/63/44/587046344.db2.gz IRPVCTCWPKNEPN-BQYQJAHWSA-N -1 1 243.266 2.076 20 0 BEADMM Fc1cccc(OCC2CCC2)c1-c1nnn[n-]1 ZINC000826377765 587352674 /nfs/dbraw/zinc/35/26/74/587352674.db2.gz FIKIEYSGWGVMEE-UHFFFAOYSA-N -1 1 248.261 2.185 20 0 BEADMM Fc1cccc(OCC2CCC2)c1-c1nn[n-]n1 ZINC000826377765 587352675 /nfs/dbraw/zinc/35/26/75/587352675.db2.gz FIKIEYSGWGVMEE-UHFFFAOYSA-N -1 1 248.261 2.185 20 0 BEADMM c1cn(CCCC2CCCC2)c(-c2nnn[n-]2)n1 ZINC000826525049 587353719 /nfs/dbraw/zinc/35/37/19/587353719.db2.gz ULOGXHZZNWRICB-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM c1cn(CCCC2CCCC2)c(-c2nn[n-]n2)n1 ZINC000826525049 587353720 /nfs/dbraw/zinc/35/37/20/587353720.db2.gz ULOGXHZZNWRICB-UHFFFAOYSA-N -1 1 246.318 2.034 20 0 BEADMM C/C(=C/C(=O)[N-]OCC(F)(F)F)c1ccco1 ZINC000830443424 587551280 /nfs/dbraw/zinc/55/12/80/587551280.db2.gz IBMTVDAJIHZFCO-ALCCZGGFSA-N -1 1 249.188 2.293 20 0 BEADMM CC[C@@H](C)N(OC)C(=O)c1cc(F)ccc1[O-] ZINC000830474495 587553545 /nfs/dbraw/zinc/55/35/45/587553545.db2.gz MFJQGXDTPQRMPD-MRVPVSSYSA-N -1 1 241.262 2.333 20 0 BEADMM Cc1ccnc(NC[C@H]2CCCCN2C(=O)[O-])c1 ZINC000830611924 587559838 /nfs/dbraw/zinc/55/98/38/587559838.db2.gz QHEYNFJSWQKDRO-LLVKDONJSA-N -1 1 249.314 2.334 20 0 BEADMM Cc1ccnc(NC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000830612267 587560185 /nfs/dbraw/zinc/56/01/85/587560185.db2.gz XLQBKNNENWLHDX-JTQLQIEISA-N -1 1 237.303 2.094 20 0 BEADMM O=C([O-])[C@]1(F)CCN(C/C=C\c2ccccc2)C1 ZINC000833174175 587701035 /nfs/dbraw/zinc/70/10/35/587701035.db2.gz CBVJHYBLPRPRHM-ZBKLQPJUSA-N -1 1 249.285 2.198 20 0 BEADMM O=C([O-])[C@]1(F)CCN(C/C=C/c2ccccc2)C1 ZINC000833174173 587701168 /nfs/dbraw/zinc/70/11/68/587701168.db2.gz CBVJHYBLPRPRHM-GBXSZLQWSA-N -1 1 249.285 2.198 20 0 BEADMM C/C(=C\CN1CCc2cc(F)ccc2C1)C(=O)[O-] ZINC000833383780 587712341 /nfs/dbraw/zinc/71/23/41/587712341.db2.gz PPCVQGIIASGSDD-ONNFQVAWSA-N -1 1 249.285 2.215 20 0 BEADMM O=C(NC(CF)CF)c1c([O-])cccc1Cl ZINC000833432994 587714845 /nfs/dbraw/zinc/71/48/45/587714845.db2.gz ANUKHMXLPXGBAX-UHFFFAOYSA-N -1 1 249.644 2.083 20 0 BEADMM O=C(CCCF)NCc1ccc([O-])c(Cl)c1 ZINC000834823120 587767658 /nfs/dbraw/zinc/76/76/58/587767658.db2.gz TUHYBFNZQINFKC-UHFFFAOYSA-N -1 1 245.681 2.412 20 0 BEADMM Cc1ccc(N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000104423926 587959540 /nfs/dbraw/zinc/95/95/40/587959540.db2.gz GFSFSNNKXHZMIZ-UHFFFAOYSA-N -1 1 242.278 2.372 20 0 BEADMM CC[C@H](COC(=O)c1ccc([O-])cc1F)OC ZINC000842088794 587997814 /nfs/dbraw/zinc/99/78/14/587997814.db2.gz UGMHJFVTPXGOIR-SECBINFHSA-N -1 1 242.246 2.113 20 0 BEADMM CCCO[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000844086933 588164912 /nfs/dbraw/zinc/16/49/12/588164912.db2.gz RSRXDONYGFFOEB-VIFPVBQESA-N -1 1 225.263 2.387 20 0 BEADMM Cc1nc(S[C@H]2CCSC2)[n-]c(=O)c1C ZINC000849890950 588507708 /nfs/dbraw/zinc/50/77/08/588507708.db2.gz NNDDVDWBFKORIM-QMMMGPOBSA-N -1 1 242.369 2.397 20 0 BEADMM O=c1nc(N2CCC=C(Cl)C2)cc(Cl)[n-]1 ZINC000865905694 589467940 /nfs/dbraw/zinc/46/79/40/589467940.db2.gz SKBJGXJXRWXYLM-UHFFFAOYSA-N -1 1 246.097 2.168 20 0 BEADMM CC1(C)CC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000122406606 589586388 /nfs/dbraw/zinc/58/63/88/589586388.db2.gz ZSRSFTQBOMZTHZ-LURJTMIESA-N -1 1 209.211 2.244 20 0 BEADMM CC1(C)CC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000122406825 589586405 /nfs/dbraw/zinc/58/64/05/589586405.db2.gz ZSRSFTQBOMZTHZ-ZCFIWIBFSA-N -1 1 209.211 2.244 20 0 BEADMM C[C@@H](COC(=O)c1cn[n-]n1)CC(C)(C)C ZINC000869518148 589611099 /nfs/dbraw/zinc/61/10/99/589611099.db2.gz ORYOCBMHXZEJQA-MRVPVSSYSA-N -1 1 225.292 2.034 20 0 BEADMM C[C@H](COC(=O)c1cn[n-]n1)CC(C)(C)C ZINC000869518149 589611229 /nfs/dbraw/zinc/61/12/29/589611229.db2.gz ORYOCBMHXZEJQA-QMMMGPOBSA-N -1 1 225.292 2.034 20 0 BEADMM CC(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000871626802 589778532 /nfs/dbraw/zinc/77/85/32/589778532.db2.gz VHYOHLLTZMJRMP-UHFFFAOYSA-N -1 1 242.706 2.253 20 0 BEADMM CCc1ccc(CN[C@H](CC2CC2)C(=O)[O-])o1 ZINC000871882390 589828071 /nfs/dbraw/zinc/82/80/71/589828071.db2.gz HMBFTUGZOVJUOP-GFCCVEGCSA-N -1 1 237.299 2.185 20 0 BEADMM CCc1[n-]n(-c2cccc(OC)c2)c(=O)c1F ZINC000871941010 589836045 /nfs/dbraw/zinc/83/60/45/589836045.db2.gz HEZMJIWBSFLHLN-LLVKDONJSA-N -1 1 236.246 2.146 20 0 BEADMM CCc1[n-]n(-c2cccc(OC)c2)c(=O)c1F ZINC000871941011 589836074 /nfs/dbraw/zinc/83/60/74/589836074.db2.gz HEZMJIWBSFLHLN-NSHDSACASA-N -1 1 236.246 2.146 20 0 BEADMM CCc1[n-]n(-c2ccccc2)c(=O)c1F ZINC000871941153 589836103 /nfs/dbraw/zinc/83/61/03/589836103.db2.gz WSIXCDGZPPLEMO-SNVBAGLBSA-N -1 1 206.220 2.137 20 0 BEADMM CCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871945932 589838431 /nfs/dbraw/zinc/83/84/31/589838431.db2.gz DFLFHSLYWSNEJZ-SECBINFHSA-N -1 1 208.305 2.421 20 0 BEADMM CCc1[n-]n(CCc2ccccc2)c(=O)c1F ZINC000871946853 589838845 /nfs/dbraw/zinc/83/88/45/589838845.db2.gz YPFWONYOVMGRGK-LBPRGKRZSA-N -1 1 234.274 2.175 20 0 BEADMM CCc1[n-]n(CCc2ccccc2)c(=O)c1F ZINC000871946830 589838869 /nfs/dbraw/zinc/83/88/69/589838869.db2.gz YPFWONYOVMGRGK-GFCCVEGCSA-N -1 1 234.274 2.175 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3cccnc3Cl)c(=O)c21 ZINC000871952574 589841487 /nfs/dbraw/zinc/84/14/87/589841487.db2.gz HEGHROVEOPPKOT-XVKPBYJWSA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(-c2ccncc2Cl)c(=O)c1F ZINC000871953986 589842766 /nfs/dbraw/zinc/84/27/66/589842766.db2.gz BYWJGDHZPODXDL-SECBINFHSA-N -1 1 241.653 2.186 20 0 BEADMM CCc1[n-]n(-c2cccc(F)c2F)c(=O)c1F ZINC000871956296 589843265 /nfs/dbraw/zinc/84/32/65/589843265.db2.gz OFSLPWPXTSFJQP-JTQLQIEISA-N -1 1 242.200 2.416 20 0 BEADMM CCc1[n-]n([C@@H](C)C(C)(C)C)c(=O)c1F ZINC000871961525 589846394 /nfs/dbraw/zinc/84/63/94/589846394.db2.gz QULQMLCEHVQKRJ-CBAPKCEASA-N -1 1 214.284 2.367 20 0 BEADMM O=C([N-]Oc1ccccc1F)C1CCC1 ZINC000874912569 590155308 /nfs/dbraw/zinc/15/53/08/590155308.db2.gz KYWSIBHINYDUFK-UHFFFAOYSA-N -1 1 209.220 2.036 20 0 BEADMM COc1cc(C)ccc1C=C1SC(=O)[N-]C1=O ZINC000874929694 590156093 /nfs/dbraw/zinc/15/60/93/590156093.db2.gz MREIZTHNDSIHRL-POHAHGRESA-N -1 1 249.291 2.328 20 0 BEADMM CCCN(C)Cc1nnc(-c2ccccc2O)o1 ZINC000878014788 590471645 /nfs/dbraw/zinc/47/16/45/590471645.db2.gz WUPXYXLPKFDASW-UHFFFAOYSA-N -1 1 247.298 2.284 20 0 BEADMM CCC[C@@H](C)CCNC(=O)c1cncc([O-])c1 ZINC000881528975 591229959 /nfs/dbraw/zinc/22/99/59/591229959.db2.gz CWIKAJPNIQNUKL-SNVBAGLBSA-N -1 1 236.315 2.343 20 0 BEADMM C=C/C=C/CCSc1nc(C(=O)OC)c[n-]1 ZINC000882157150 591308074 /nfs/dbraw/zinc/30/80/74/591308074.db2.gz WAXQCVKFMOANBT-SNAWJCMRSA-N -1 1 238.312 2.421 20 0 BEADMM O=c1nc(NC[C@H]2C=CCC2)cc(Cl)[n-]1 ZINC000882755818 591430213 /nfs/dbraw/zinc/43/02/13/591430213.db2.gz BYRGIBFQQILXCM-ZETCQYMHSA-N -1 1 225.679 2.214 20 0 BEADMM C[C@@H](O[N-]C(=O)CC(C)(C)C)c1ncccn1 ZINC000882992898 591497994 /nfs/dbraw/zinc/49/79/94/591497994.db2.gz WUCOCCXAMVNKHA-SECBINFHSA-N -1 1 237.303 2.022 20 0 BEADMM CCC(C)(CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000130720153 591505186 /nfs/dbraw/zinc/50/51/86/591505186.db2.gz OWODXNRSJWIURI-JTQLQIEISA-N -1 1 229.320 2.387 20 0 BEADMM C/C(=C\CN(C)Cc1ccsc1)C(=O)[O-] ZINC000214595334 591634757 /nfs/dbraw/zinc/63/47/57/591634757.db2.gz CJPFAHMAKWTNHF-YCRREMRBSA-N -1 1 225.313 2.211 20 0 BEADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc([O-])cc1F ZINC000889598348 592626151 /nfs/dbraw/zinc/62/61/51/592626151.db2.gz AELJITJMUWOAKC-DFAYQTQMSA-N -1 1 249.285 2.450 20 0 BEADMM C[C@H](C(=O)[O-])N(Cc1cccs1)C1CC1 ZINC000042516188 597072972 /nfs/dbraw/zinc/07/29/72/597072972.db2.gz XZSAUTQNNRGKAX-MRVPVSSYSA-N -1 1 225.313 2.186 20 0 BEADMM C[C@@H](C(=O)[O-])N(Cc1ccsc1)C1CC1 ZINC000042469004 597073051 /nfs/dbraw/zinc/07/30/51/597073051.db2.gz FWWFUEHEFDPGEV-QMMMGPOBSA-N -1 1 225.313 2.186 20 0 BEADMM CN(CCC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000234291171 598126869 /nfs/dbraw/zinc/12/68/69/598126869.db2.gz KGCYNZXWKWQSSC-UHFFFAOYSA-N -1 1 247.216 2.010 20 0 BEADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccco1 ZINC000071783105 598193612 /nfs/dbraw/zinc/19/36/12/598193612.db2.gz FLPMPWDSYOPNEJ-CYBMUJFWSA-N -1 1 245.278 2.065 20 0 BEADMM CC[C@H](C)[C@H](NCc1ccc(C)o1)C(=O)[O-] ZINC000309319146 598214753 /nfs/dbraw/zinc/21/47/53/598214753.db2.gz DRNMUNVROIERLT-KWQFWETISA-N -1 1 225.288 2.177 20 0 BEADMM CCCN(CC(=O)[O-])Cc1cccnc1Cl ZINC000184904131 600740133 /nfs/dbraw/zinc/74/01/33/600740133.db2.gz DXZDMJBUBAQSTK-UHFFFAOYSA-N -1 1 242.706 2.032 20 0 BEADMM COc1ccccc1CN(C)C/C=C(/C)C(=O)[O-] ZINC000088630472 601153280 /nfs/dbraw/zinc/15/32/80/601153280.db2.gz MQFHXKBGZFFJGQ-FLIBITNWSA-N -1 1 249.310 2.158 20 0 BEADMM C[C@@H](NC(=O)[O-])C1CCN(C/C=C/Cl)CC1 ZINC000739028927 602463378 /nfs/dbraw/zinc/46/33/78/602463378.db2.gz SNDTXYPPTWACCQ-OSOUNJMWSA-N -1 1 246.738 2.107 20 0 BEADMM C[C@@H]1C[C@H]1c1ccc(CN[C@H](C(=O)[O-])C2CC2)o1 ZINC000086758212 605063472 /nfs/dbraw/zinc/06/34/72/605063472.db2.gz TXLBYICWEHLOQR-DYLAAIIWSA-N -1 1 249.310 2.356 20 0 BEADMM c1cc(SC2CCCC2)nc(-c2nnn[n-]2)c1 ZINC000095163584 607894406 /nfs/dbraw/zinc/89/44/06/607894406.db2.gz ZYKXCRGRTIKXBW-UHFFFAOYSA-N -1 1 247.327 2.296 20 0 BEADMM c1cc(SC2CCCC2)nc(-c2nn[n-]n2)c1 ZINC000095163584 607894407 /nfs/dbraw/zinc/89/44/07/607894407.db2.gz ZYKXCRGRTIKXBW-UHFFFAOYSA-N -1 1 247.327 2.296 20 0 BEADMM c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095168827 607894533 /nfs/dbraw/zinc/89/45/33/607894533.db2.gz NVRUGFZQTHUKJF-UHFFFAOYSA-N -1 1 238.254 2.005 20 0 BEADMM c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095168827 607894534 /nfs/dbraw/zinc/89/45/34/607894534.db2.gz NVRUGFZQTHUKJF-UHFFFAOYSA-N -1 1 238.254 2.005 20 0 BEADMM [O-]c1cccc(CNCc2ccon2)c1Cl ZINC000328286782 633753875 /nfs/dbraw/zinc/75/38/75/633753875.db2.gz ZTJWBXYSBHNKQQ-UHFFFAOYSA-N -1 1 238.674 2.323 20 0 BEADMM O=C(c1cncc([O-])c1)N1CCC2(CCCC2)C1 ZINC000174849088 633759102 /nfs/dbraw/zinc/75/91/02/633759102.db2.gz ALXOSYNEHPWMKU-UHFFFAOYSA-N -1 1 246.310 2.194 20 0 BEADMM Cc1ccoc1CN[C@H](C(=O)[O-])C(C)(C)C ZINC000309665254 633985253 /nfs/dbraw/zinc/98/52/53/633985253.db2.gz HLZLRGSKSYNZIW-SNVBAGLBSA-N -1 1 225.288 2.177 20 0 BEADMM CC(C)(/C=C\Cl)NC(=O)c1cncc([O-])c1 ZINC000928925796 636522310 /nfs/dbraw/zinc/52/23/10/636522310.db2.gz AKTGKZRVAMNGMP-ARJAWSKDSA-N -1 1 240.690 2.048 20 0 BEADMM C[C@H](C(=O)[N-]OC1CCCCC1)[C@H]1CCCO1 ZINC000907542857 638398564 /nfs/dbraw/zinc/39/85/64/638398564.db2.gz FGSUYPKHUSLCSM-CMPLNLGQSA-N -1 1 241.331 2.182 20 0 BEADMM CC(C)c1ccccc1COC(=O)c1cn[n-]n1 ZINC000909313011 639204660 /nfs/dbraw/zinc/20/46/60/639204660.db2.gz YKPJXAWOLQJXPT-UHFFFAOYSA-N -1 1 245.282 2.285 20 0 BEADMM CCC[C@H](CNc1cccc(C)n1)C(=O)[O-] ZINC000910465114 639459764 /nfs/dbraw/zinc/45/97/64/639459764.db2.gz FXVOCTGISFUREK-SNVBAGLBSA-N -1 1 222.288 2.303 20 0 BEADMM C[C@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910980250 639554428 /nfs/dbraw/zinc/55/44/28/639554428.db2.gz RQKDMJAMAIWOLE-CAHLUQPWSA-N -1 1 227.210 2.265 20 0 BEADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000910979990 639555172 /nfs/dbraw/zinc/55/51/72/639555172.db2.gz OYFYDYWLSWDDON-UHFFFAOYSA-N -1 1 227.210 2.409 20 0 BEADMM CC(C)OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982839 639557392 /nfs/dbraw/zinc/55/73/92/639557392.db2.gz CAKOAKADXZLKEX-UHFFFAOYSA-N -1 1 245.225 2.034 20 0 BEADMM CS[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982192 639558022 /nfs/dbraw/zinc/55/80/22/639558022.db2.gz XCMVDGKRTIFFJR-RXMQYKEDSA-N -1 1 247.266 2.360 20 0 BEADMM C/C(=C(\F)C(=O)[N-]C1=NC[C@H](C)S1)C1CC1 ZINC000911333925 639622467 /nfs/dbraw/zinc/62/24/67/639622467.db2.gz RYPLSOOXPSNNGJ-OQHQPDIQSA-N -1 1 242.319 2.247 20 0 BEADMM CCCC1(C[N-]C(=O)C(F)(F)F)CC1 ZINC000230161422 641033670 /nfs/dbraw/zinc/03/36/70/641033670.db2.gz NBLBQENYNPATSP-UHFFFAOYSA-N -1 1 209.211 2.245 20 0 BEADMM O=C(Nc1ccc(F)nc1)c1ccccc1[O-] ZINC000153967367 641932837 /nfs/dbraw/zinc/93/28/37/641932837.db2.gz SKQMUJZXKACVER-UHFFFAOYSA-N -1 1 232.214 2.179 20 0 BEADMM C[C@@H]1CC[C@@H]([N-]C(=O)C(F)(F)F)[C@H](C)C1 ZINC000078597432 641939394 /nfs/dbraw/zinc/93/93/94/641939394.db2.gz SKEBIPDFLIEXHU-BWZBUEFSSA-N -1 1 223.238 2.490 20 0 BEADMM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1F ZINC000917347410 642045933 /nfs/dbraw/zinc/04/59/33/642045933.db2.gz FQTMQBFRXUUADO-SNVBAGLBSA-N -1 1 206.220 2.056 20 0 BEADMM Cc1[n-]n(-c2ccc(F)cc2F)c(=O)c1F ZINC000917348015 642048239 /nfs/dbraw/zinc/04/82/39/642048239.db2.gz QWWMAXRRCWHNGE-VIFPVBQESA-N -1 1 228.173 2.025 20 0 BEADMM C[C@@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC000920463776 642503119 /nfs/dbraw/zinc/50/31/19/642503119.db2.gz LBLHNYDKSSVZEJ-SSDOTTSWSA-N -1 1 225.675 2.280 20 0 BEADMM Cc1cccc(OCC[N-]C(=O)C(F)(F)F)c1 ZINC000070266822 643010856 /nfs/dbraw/zinc/01/08/56/643010856.db2.gz LDPJPEREZZOVDP-UHFFFAOYSA-N -1 1 247.216 2.052 20 0 BEADMM O=C([O-])c1ccc(CNCc2cccc(F)c2)o1 ZINC000071380600 643138326 /nfs/dbraw/zinc/13/83/26/643138326.db2.gz LESMSWLHWPYPDY-UHFFFAOYSA-N -1 1 249.241 2.407 20 0 BEADMM CCCCCC[C@H](C)CC(=O)Nc1nnn[n-]1 ZINC000076964335 643312043 /nfs/dbraw/zinc/31/20/43/643312043.db2.gz GHDWFXQQOXQQMO-VIFPVBQESA-N -1 1 239.323 2.135 20 0 BEADMM CCCCCC[C@H](C)CC(=O)Nc1nn[n-]n1 ZINC000076964335 643312046 /nfs/dbraw/zinc/31/20/46/643312046.db2.gz GHDWFXQQOXQQMO-VIFPVBQESA-N -1 1 239.323 2.135 20 0 BEADMM CC1(C)C(C(=O)[N-]O[C@@H]2CCCCO2)C1(C)C ZINC000073226755 643415123 /nfs/dbraw/zinc/41/51/23/643415123.db2.gz DXZBONULOIIGHW-SECBINFHSA-N -1 1 241.331 2.243 20 0 BEADMM CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCC1 ZINC000175923110 643601587 /nfs/dbraw/zinc/60/15/87/643601587.db2.gz CBPRKIDDDSXKJJ-JTQLQIEISA-N -1 1 227.304 2.141 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccsc1 ZINC000817354752 644972693 /nfs/dbraw/zinc/97/26/93/644972693.db2.gz PONUKDCEOZABQB-MRVPVSSYSA-N -1 1 225.313 2.309 20 0 BEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1c([O-])cccc1F ZINC000928039477 645683265 /nfs/dbraw/zinc/68/32/65/645683265.db2.gz RRFJJSFNLBPVOK-SDNRWEOFSA-N -1 1 249.285 2.306 20 0 BEADMM CC1=CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000382499811 710972056 /nfs/dbraw/zinc/97/20/56/710972056.db2.gz OJVZSSZVXMSNCQ-UHFFFAOYSA-N -1 1 221.256 2.130 20 0 BEADMM CC/C=C/CNCc1cc(C(=O)[O-])co1 ZINC000384732566 710996136 /nfs/dbraw/zinc/99/61/36/710996136.db2.gz KAPZTFYGOZKCIR-ONEGZZNKSA-N -1 1 209.245 2.034 20 0 BEADMM Cc1cc(C)nc(CN2CCCC[C@H]2C(=O)[O-])c1 ZINC000723868494 711540494 /nfs/dbraw/zinc/54/04/94/711540494.db2.gz RMAKBRHWSQMNBY-ZDUSSCGKSA-N -1 1 248.326 2.138 20 0 BEADMM CC[N@@H+](CC=C(Cl)Cl)[C@H](C)C(=O)[O-] ZINC000707911885 712172838 /nfs/dbraw/zinc/17/28/38/712172838.db2.gz OFADPMMGJHAYAD-ZCFIWIBFSA-N -1 1 226.103 2.100 20 0 BEADMM CCN(CC=C(Cl)Cl)[C@H](C)C(=O)[O-] ZINC000707911885 712172839 /nfs/dbraw/zinc/17/28/39/712172839.db2.gz OFADPMMGJHAYAD-ZCFIWIBFSA-N -1 1 226.103 2.100 20 0 BEADMM O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711455228 712303938 /nfs/dbraw/zinc/30/39/38/712303938.db2.gz NXTBCCHRRRBLOR-VIFPVBQESA-N -1 1 241.262 2.159 20 0 BEADMM O=C(C[C@@H]1C[C@H]1C1CC1)[N-]OCC(F)(F)F ZINC000712068839 712340501 /nfs/dbraw/zinc/34/05/01/712340501.db2.gz QGRUKIMVIYPEMM-YUMQZZPRSA-N -1 1 237.221 2.033 20 0 BEADMM CC(C)(C)CCC(=O)[N-]OCC(F)(F)F ZINC000379713716 712392597 /nfs/dbraw/zinc/39/25/97/712392597.db2.gz AJCUNXFEBHWBNK-UHFFFAOYSA-N -1 1 227.226 2.423 20 0 BEADMM CN(CCCF)C(=O)c1ccc(Cl)cc1[O-] ZINC000716733225 712571723 /nfs/dbraw/zinc/57/17/23/712571723.db2.gz ABGZTFDKZHMBJA-UHFFFAOYSA-N -1 1 245.681 2.477 20 0 BEADMM O=C([O-])[C@@H]1CCCCCN1Cc1ccco1 ZINC000080992161 712728744 /nfs/dbraw/zinc/72/87/44/712728744.db2.gz GHFUDOWZFKMMKO-NSHDSACASA-N -1 1 223.272 2.109 20 0 BEADMM O=C(N[C@H]1CC12CCC2)c1ccc([O-])cc1F ZINC000721148450 712892964 /nfs/dbraw/zinc/89/29/64/712892964.db2.gz MUIBUFAMWGAVSC-NSHDSACASA-N -1 1 235.258 2.204 20 0 BEADMM [O-]c1c(F)cc(CN2CCSCC2)cc1F ZINC001140988821 960778625 /nfs/dbraw/zinc/77/86/25/960778625.db2.gz NDVBCAYPAHFUCP-UHFFFAOYSA-N -1 1 245.294 2.219 20 0 BEADMM Cc1cc(NC(=O)c2ccc([O-])cn2)cs1 ZINC001149513375 962098947 /nfs/dbraw/zinc/09/89/47/962098947.db2.gz NILSCNQLUKCBHH-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM CC=C(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000080598864 1165797107 /nfs/dbraw/zinc/79/71/07/1165797107.db2.gz YFLUPDDPNBXXOH-ARJAWSKDSA-N -1 1 234.181 2.378 20 0 BEADMM CCC[C@@](C)(CC)C(=O)Nc1c[n-][nH]c1=O ZINC001648816559 1165858756 /nfs/dbraw/zinc/85/87/56/1165858756.db2.gz ZTYNMLOWCSDMRL-LLVKDONJSA-N -1 1 225.292 2.270 20 0 BEADMM Cc1cccc(C(=O)Nc2cccc(F)c2[O-])n1 ZINC001648847148 1165871868 /nfs/dbraw/zinc/87/18/68/1165871868.db2.gz KDBFAOPFVJVPKT-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Cn1nccc1Cc1ccc(Cl)c([O-])c1 ZINC001250435900 967855460 /nfs/dbraw/zinc/85/54/60/967855460.db2.gz FLTQUUHBVYIAQT-UHFFFAOYSA-N -1 1 222.675 2.370 20 0 BEADMM [O-]c1cccc(CNCc2ncc[nH]2)c1Cl ZINC000393920886 1166552657 /nfs/dbraw/zinc/55/26/57/1166552657.db2.gz SLGHAQLADZNDBP-UHFFFAOYSA-N -1 1 237.690 2.059 20 0 BEADMM CC[C@H](C)[C@H](C)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225764162 1167018276 /nfs/dbraw/zinc/01/82/76/1167018276.db2.gz 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244.697 2.375 20 0 BEADMM C[C@@H](Oc1n[nH]c(=O)cc1Cl)C1=CC=C[CH]1 ZINC001233587776 978632939 /nfs/dbraw/zinc/63/29/39/978632939.db2.gz ZLHGHUZQKDPNAW-SSDOTTSWSA-N -1 1 237.666 2.303 20 0 BEADMM CC[C@@](C)(NCc1csc(Cl)n1)C(=O)[O-] ZINC001604913820 979765275 /nfs/dbraw/zinc/76/52/75/979765275.db2.gz HBPWTLFPUOOBKE-SECBINFHSA-N -1 1 248.735 2.139 20 0 BEADMM CCC(CC)N[C@H](C)c1nc(C(=O)[O-])co1 ZINC001605017984 979799347 /nfs/dbraw/zinc/79/93/47/979799347.db2.gz UACXPJONDBCZQR-SSDOTTSWSA-N -1 1 226.276 2.212 20 0 BEADMM Cn1ncc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228398 980326212 /nfs/dbraw/zinc/32/62/12/980326212.db2.gz AAZBJANTCKPVPT-UHFFFAOYSA-N -1 1 242.641 2.057 20 0 BEADMM [O-]c1cccnc1CNc1ccc(=S)[nH]c1 ZINC001169731624 1168500779 /nfs/dbraw/zinc/50/07/79/1168500779.db2.gz CXLLQDGWSUNIEZ-UHFFFAOYSA-N -1 1 233.296 2.083 20 0 BEADMM [O-]c1cccc(-c2ncc3nc[nH]c3n2)c1Cl ZINC001242798621 1168512134 /nfs/dbraw/zinc/51/21/34/1168512134.db2.gz MSCKECIXRKKQSJ-UHFFFAOYSA-N -1 1 246.657 2.331 20 0 BEADMM CCCCNC(=O)Nc1cc(Cl)ncc1[O-] ZINC001190591748 980895213 /nfs/dbraw/zinc/89/52/13/980895213.db2.gz XWPFIGBKGXCNCD-UHFFFAOYSA-N -1 1 243.694 2.362 20 0 BEADMM O=C(CCF)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136190506 1168615870 /nfs/dbraw/zinc/61/58/70/1168615870.db2.gz HGWSMAQEEYTHOD-UHFFFAOYSA-N -1 1 249.245 2.080 20 0 BEADMM CC[C@@H](C)OC(=O)Nc1ncccc1[O-] ZINC001195077019 982054929 /nfs/dbraw/zinc/05/49/29/982054929.db2.gz PPPLWJJXKBPGPT-SSDOTTSWSA-N -1 1 210.233 2.134 20 0 BEADMM CCCN(CC)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595865215 982823041 /nfs/dbraw/zinc/82/30/41/982823041.db2.gz XBIJGCCXIIEEQS-MRVPVSSYSA-N -1 1 226.276 2.166 20 0 BEADMM c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095168828 1169017504 /nfs/dbraw/zinc/01/75/04/1169017504.db2.gz JKZZAMNMVOBNBZ-UHFFFAOYSA-N -1 1 238.254 2.005 20 0 BEADMM c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095168828 1169017513 /nfs/dbraw/zinc/01/75/13/1169017513.db2.gz JKZZAMNMVOBNBZ-UHFFFAOYSA-N -1 1 238.254 2.005 20 0 BEADMM Cc1nnc(-c2cccc([O-])c2F)nc1C ZINC001243546145 970793950 /nfs/dbraw/zinc/79/39/50/970793950.db2.gz KXBMVRDUTOQNBQ-UHFFFAOYSA-N -1 1 219.219 2.000 20 0 BEADMM NC(=O)c1ccnc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243576804 970819577 /nfs/dbraw/zinc/81/95/77/970819577.db2.gz NKAZWIKEJVYBJG-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Cc1ccc([N-]c2nonc2N)c(OC(C)C)c1 ZINC001215877136 970870406 /nfs/dbraw/zinc/87/04/06/970870406.db2.gz KJANJEDLUHHOKN-UHFFFAOYSA-N -1 1 248.286 2.491 20 0 BEADMM C[C@@H]1CCC[C@H](OCC[P@](=O)([O-])O)[C@H]1C ZINC001224601629 973785312 /nfs/dbraw/zinc/78/53/12/973785312.db2.gz ISPJPBPOWPZALX-UTLUCORTSA-N -1 1 236.248 2.005 20 0 BEADMM CN(C)Cc1cccc([N-]c2nnco2)c1F ZINC001216227178 970993295 /nfs/dbraw/zinc/99/32/95/970993295.db2.gz TZKHCMVHDOJELF-UHFFFAOYSA-N -1 1 236.250 2.014 20 0 BEADMM Cc1nnc([N-]c2cc(Cl)ccc2O)o1 ZINC001216396465 971073489 /nfs/dbraw/zinc/07/34/89/971073489.db2.gz JAHKVQPMGFVFGH-UHFFFAOYSA-N -1 1 225.635 2.481 20 0 BEADMM O=C([O-])c1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC001611545047 971102542 /nfs/dbraw/zinc/10/25/42/971102542.db2.gz ILPQYMBEJWCPOL-UHFFFAOYSA-N -1 1 249.285 2.319 20 0 BEADMM Cc1c(Nc2ccncc2)cccc1C(=O)[O-] ZINC001216658765 971147126 /nfs/dbraw/zinc/14/71/26/971147126.db2.gz LZSSHSREJDKKNZ-UHFFFAOYSA-N -1 1 228.251 2.254 20 0 BEADMM [O-]c1cc(Cl)ccc1-c1ncc2c(n1)CNC2 ZINC001244468076 971281895 /nfs/dbraw/zinc/28/18/95/971281895.db2.gz LWZPBDKPJSUHQQ-UHFFFAOYSA-N -1 1 247.685 2.106 20 0 BEADMM CCCC[C@H](CC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257415571 971308331 /nfs/dbraw/zinc/30/83/31/971308331.db2.gz UKOCZZGMLRGETC-QMMMGPOBSA-N -1 1 249.318 2.439 20 0 BEADMM Cc1cc(-c2nnc(C)c(C)n2)cc([O-])c1F ZINC001244508262 971316491 /nfs/dbraw/zinc/31/64/91/971316491.db2.gz QMDFGSPIXJHWRG-UHFFFAOYSA-N -1 1 233.246 2.309 20 0 BEADMM CC(C)c1nc(CN[C@H](C)CC(=O)[O-])cs1 ZINC000309634504 971715034 /nfs/dbraw/zinc/71/50/34/971715034.db2.gz RYTPLOQUKZFORQ-MRVPVSSYSA-N -1 1 242.344 2.219 20 0 BEADMM Cc1cnc(F)c([N-]c2cnns2)c1 ZINC001211498207 957054532 /nfs/dbraw/zinc/05/45/32/957054532.db2.gz BLWSSQJRICXPEQ-UHFFFAOYSA-N -1 1 210.237 2.124 20 0 BEADMM CCn1ccnc1NCc1cccc(C(=O)[O-])c1 ZINC000050607710 957494451 /nfs/dbraw/zinc/49/44/51/957494451.db2.gz YBQHBBGSBHQLGQ-UHFFFAOYSA-N -1 1 245.282 2.213 20 0 BEADMM Nc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001210440217 957749014 /nfs/dbraw/zinc/74/90/14/957749014.db2.gz WRTWVUPHPFYYQO-UHFFFAOYSA-N -1 1 237.209 2.391 20 0 BEADMM CC=C(C)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001210796266 957894742 /nfs/dbraw/zinc/89/47/42/957894742.db2.gz OMGFKDJAJDQPEF-XBXARRHUSA-N -1 1 241.312 2.131 20 0 BEADMM C[C@H]([N-]C(=O)C(F)(F)F)C1CCCC1 ZINC000078678623 958412559 /nfs/dbraw/zinc/41/25/59/958412559.db2.gz XCPPRZBDAJHCQY-LURJTMIESA-N -1 1 209.211 2.244 20 0 BEADMM O=C([O-])Cc1ccccc1CNCc1ccoc1 ZINC000126040324 958577619 /nfs/dbraw/zinc/57/76/19/958577619.db2.gz PAVRWRONYRXGRA-UHFFFAOYSA-N -1 1 245.278 2.197 20 0 BEADMM CCCCNC(=O)Nc1cccc(F)c1[O-] ZINC000707924723 958841221 /nfs/dbraw/zinc/84/12/21/958841221.db2.gz HPXBBGGCQLUPBQ-UHFFFAOYSA-N -1 1 226.251 2.453 20 0 BEADMM C/C(=C/CN[C@H](C)c1nc(C)cs1)C(=O)[O-] ZINC000235198402 960396676 /nfs/dbraw/zinc/39/66/76/960396676.db2.gz SXRUSTHCABRPPV-WQAKUFEDSA-N -1 1 240.328 2.133 20 0 BEADMM C[C@H](NCc1ccoc1C(=O)[O-])c1cccnc1 ZINC000235520173 960451300 /nfs/dbraw/zinc/45/13/00/960451300.db2.gz YMAGZDJPOOMFSU-VIFPVBQESA-N -1 1 246.266 2.224 20 0 BEADMM CCC[C@@H](NC(=O)c1ccc([O-])cn1)C1CCC1 ZINC001142033284 961231726 /nfs/dbraw/zinc/23/17/26/961231726.db2.gz DSCRPRSAWBWQIF-GFCCVEGCSA-N -1 1 248.326 2.486 20 0 BEADMM CCN(C)C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149644604 962113457 /nfs/dbraw/zinc/11/34/57/962113457.db2.gz DEDQKHIJNOUGDC-UHFFFAOYSA-N -1 1 245.278 2.343 20 0 BEADMM O=C(c1ccc([O-])cn1)N1CC=CC12CCCC2 ZINC001150428986 962161791 /nfs/dbraw/zinc/16/17/91/962161791.db2.gz KJFGKYXKQVJAMO-UHFFFAOYSA-N -1 1 244.294 2.112 20 0 BEADMM Cc1cscc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001151453604 962291960 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BEADMM Cn1cncc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588837 978121683 /nfs/dbraw/zinc/12/16/83/978121683.db2.gz IRMIDEPUBLNOGY-QPJJXVBHSA-N -1 1 243.266 2.262 20 0 BEADMM Cc1ncn(C)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176709354 978175322 /nfs/dbraw/zinc/17/53/22/978175322.db2.gz JSVYWIZNAPDCNL-UHFFFAOYSA-N -1 1 231.255 2.170 20 0 BEADMM CC[C@H](F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001337340413 978294329 /nfs/dbraw/zinc/29/43/29/978294329.db2.gz ICJBGELQUCWISR-VIFPVBQESA-N -1 1 245.681 2.410 20 0 BEADMM C[C@@H]1CCN1Cc1ccc(F)c([O-])c1F ZINC001232930829 978340738 /nfs/dbraw/zinc/34/07/38/978340738.db2.gz FHUBHHOEIIUTAN-SSDOTTSWSA-N -1 1 213.227 2.265 20 0 BEADMM [O-]c1c(F)ccc(CN2CCSCC2)c1F ZINC001232934917 978342007 /nfs/dbraw/zinc/34/20/07/978342007.db2.gz YFMPSFFLAPBHOU-UHFFFAOYSA-N -1 1 245.294 2.219 20 0 BEADMM CN(Cc1cc([O-])c(F)c(F)c1)CC(F)F ZINC001232974873 978375558 /nfs/dbraw/zinc/37/55/58/978375558.db2.gz SSCLBRMTOHOLQH-UHFFFAOYSA-N -1 1 237.196 2.367 20 0 BEADMM [S-]c1ccc(CN2CCCC23COC3)cc1 ZINC001233261496 978520617 /nfs/dbraw/zinc/52/06/17/978520617.db2.gz RBFOVJXDJOTXQI-UHFFFAOYSA-N -1 1 235.352 2.340 20 0 BEADMM CN(Cc1ccc([S-])cc1)Cc1cncnc1 ZINC001233262536 978521902 /nfs/dbraw/zinc/52/19/02/978521902.db2.gz KWHLPYUAJABTPW-UHFFFAOYSA-N -1 1 245.351 2.397 20 0 BEADMM Cc1cc(CN2[C@H](C)C[C@H]2C)[nH]c1C(=O)[O-] ZINC001600191280 978674604 /nfs/dbraw/zinc/67/46/04/978674604.db2.gz FEMIEJPPQXKLNH-RKDXNWHRSA-N -1 1 222.288 2.004 20 0 BEADMM Cc1cc(C[N@H+]2CC[C@H](F)C2)ccc1C(=O)[O-] ZINC001600196776 978676928 /nfs/dbraw/zinc/67/69/28/978676928.db2.gz ZFEIOWAVASAPER-NSHDSACASA-N -1 1 237.274 2.237 20 0 BEADMM Cc1cc(CN2CC[C@H](F)C2)ccc1C(=O)[O-] ZINC001600196776 978676933 /nfs/dbraw/zinc/67/69/33/978676933.db2.gz ZFEIOWAVASAPER-NSHDSACASA-N -1 1 237.274 2.237 20 0 BEADMM c1cn2c(n1)[C@@H](Oc1nc3sccc3[n-]1)CC2 ZINC001234851544 978915975 /nfs/dbraw/zinc/91/59/75/978915975.db2.gz LVQBSLPDIRKQDN-QMMMGPOBSA-N -1 1 246.295 2.345 20 0 BEADMM Cc1ccc(F)c(-c2cccc(N)n2)c1[O-] ZINC001236391308 979577142 /nfs/dbraw/zinc/57/71/42/979577142.db2.gz IHUCGAGFIWQOGZ-UHFFFAOYSA-N -1 1 218.231 2.484 20 0 BEADMM COc1ccc(-c2c(F)ccc(C)c2[O-])nn1 ZINC001236394233 979578040 /nfs/dbraw/zinc/57/80/40/979578040.db2.gz VGJVNXQGNBMADS-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM Cc1ccc(F)c(-c2ccnc(N(C)C)n2)c1[O-] ZINC001236393269 979581170 /nfs/dbraw/zinc/58/11/70/979581170.db2.gz RCMQDLMXBZRYIW-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM CCC[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001604138401 979583073 /nfs/dbraw/zinc/58/30/73/979583073.db2.gz XCQSKCBXPBXZQT-MRVPVSSYSA-N -1 1 246.318 2.171 20 0 BEADMM CCC[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001604138401 979583077 /nfs/dbraw/zinc/58/30/77/979583077.db2.gz XCQSKCBXPBXZQT-MRVPVSSYSA-N -1 1 246.318 2.171 20 0 BEADMM C[C@@H](NC1CC(CC(=O)[O-])C1)c1cscn1 ZINC001604331249 979618511 /nfs/dbraw/zinc/61/85/11/979618511.db2.gz WEBABTBUSFVTIV-AFPNSQJFSA-N -1 1 240.328 2.047 20 0 BEADMM C[C@@H]1[C@@H](C)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001604757468 979716677 /nfs/dbraw/zinc/71/66/77/979716677.db2.gz QRMQHKMWIWQYRT-JGVFFNPUSA-N -1 1 240.328 2.072 20 0 BEADMM [O-]c1cc(F)c(C[C@H]2CCCO2)cc1F ZINC001250102900 979733601 /nfs/dbraw/zinc/73/36/01/979733601.db2.gz ACSMVUAITPPXFZ-MRVPVSSYSA-N -1 1 214.211 2.392 20 0 BEADMM CCC1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001605178366 979829012 /nfs/dbraw/zinc/82/90/12/979829012.db2.gz HOCGUEFUIPMMOQ-UHFFFAOYSA-N -1 1 248.326 2.432 20 0 BEADMM CCC[C@H]1CCC[C@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001183562657 979847002 /nfs/dbraw/zinc/84/70/02/979847002.db2.gz MLMDNWOSYNYNLI-DTWKUNHWSA-N -1 1 237.303 2.270 20 0 BEADMM Cc1ncoc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC001342675217 979862975 /nfs/dbraw/zinc/86/29/75/979862975.db2.gz JRCHDDGYLNBVRZ-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM Cc1nc(-c2nnn[n-]2)n(CCC(C)(C)C)c1C ZINC001606020741 979944734 /nfs/dbraw/zinc/94/47/34/979944734.db2.gz AOWFRQSAGNJRNB-UHFFFAOYSA-N -1 1 248.334 2.116 20 0 BEADMM Cc1nc(-c2nn[n-]n2)n(CCC(C)(C)C)c1C ZINC001606020741 979944744 /nfs/dbraw/zinc/94/47/44/979944744.db2.gz AOWFRQSAGNJRNB-UHFFFAOYSA-N -1 1 248.334 2.116 20 0 BEADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c([O-])c1 ZINC001606729924 980036147 /nfs/dbraw/zinc/03/61/47/980036147.db2.gz KDWZTDZMFAYGBY-OUAUKWLOSA-N -1 1 246.310 2.014 20 0 BEADMM Cc1coc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001607921457 980140065 /nfs/dbraw/zinc/14/00/65/980140065.db2.gz AGDJJLGZYFBJOT-CABZTGNLSA-N -1 1 237.299 2.273 20 0 BEADMM CC1(C)OC[C@H](Cc2ccc([O-])c(F)c2F)O1 ZINC001250183892 980211028 /nfs/dbraw/zinc/21/10/28/980211028.db2.gz BPUCHZXBRLEWMY-QMMMGPOBSA-N -1 1 244.237 2.364 20 0 BEADMM O=C([O-])[C@H](CF)NCc1ccc(C(F)F)cc1 ZINC001608534220 980228934 /nfs/dbraw/zinc/22/89/34/980228934.db2.gz RGSFUENCPIVPGR-VIFPVBQESA-N -1 1 247.216 2.137 20 0 BEADMM C[Si](C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC001186233616 980353611 /nfs/dbraw/zinc/35/36/11/980353611.db2.gz LORMADHQZOIFJD-UHFFFAOYSA-N -1 1 241.338 2.139 20 0 BEADMM O=C(Nc1ccccc1O)c1ccc([O-])cc1F ZINC001186328836 980358649 /nfs/dbraw/zinc/35/86/49/980358649.db2.gz MBGTWVVMAPEORY-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM O=C(NCC1CCCCC1)Nc1ncccc1[O-] ZINC001186846940 980445242 /nfs/dbraw/zinc/44/52/42/980445242.db2.gz ABYQQYGIFBOITM-UHFFFAOYSA-N -1 1 249.314 2.489 20 0 BEADMM COC(=O)c1nc2ccc(-c3cnoc3)cc2[n-]1 ZINC001239176989 980486084 /nfs/dbraw/zinc/48/60/84/980486084.db2.gz DLEZZAKOCMADEY-UHFFFAOYSA-N -1 1 243.222 2.005 20 0 BEADMM COC(=O)c1nc2cc(-c3cnoc3)ccc2[n-]1 ZINC001239176989 980486086 /nfs/dbraw/zinc/48/60/86/980486086.db2.gz DLEZZAKOCMADEY-UHFFFAOYSA-N -1 1 243.222 2.005 20 0 BEADMM O=C(Nc1ccc[nH]1)c1ncc(C(F)(F)F)[n-]1 ZINC001188281161 980631656 /nfs/dbraw/zinc/63/16/56/980631656.db2.gz QXNOGSWBIBRVDZ-UHFFFAOYSA-N -1 1 244.176 2.009 20 0 BEADMM O=C(Nc1ccc[nH]1)c1nc(C(F)(F)F)c[n-]1 ZINC001188281161 980631666 /nfs/dbraw/zinc/63/16/66/980631666.db2.gz QXNOGSWBIBRVDZ-UHFFFAOYSA-N -1 1 244.176 2.009 20 0 BEADMM CC[C@@H]1CCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC001595468483 981163482 /nfs/dbraw/zinc/16/34/82/981163482.db2.gz WXNMWGKKBQWLNH-SECBINFHSA-N -1 1 223.272 2.271 20 0 BEADMM CC[C@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192678467 981182606 /nfs/dbraw/zinc/18/26/06/981182606.db2.gz CAKHQWNKRARZMJ-LURJTMIESA-N -1 1 229.226 2.199 20 0 BEADMM CCCC[C@H](C)NC(=O)Nc1ncccc1[O-] ZINC001193027491 981229747 /nfs/dbraw/zinc/22/97/47/981229747.db2.gz JQUUWCAGJROZSY-VIFPVBQESA-N -1 1 237.303 2.487 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1F ZINC001348140548 981296347 /nfs/dbraw/zinc/29/63/47/981296347.db2.gz PSXMQMNANYGAAE-XPUUQOCRSA-N -1 1 229.638 2.342 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1F ZINC001348140545 981296691 /nfs/dbraw/zinc/29/66/91/981296691.db2.gz PSXMQMNANYGAAE-HTRCEHHLSA-N -1 1 229.638 2.342 20 0 BEADMM COCCOC(=O)Nc1cccc([O-])c1Cl ZINC001193412308 981323644 /nfs/dbraw/zinc/32/36/44/981323644.db2.gz ZHJBMQISDPRRFC-UHFFFAOYSA-N -1 1 245.662 2.241 20 0 BEADMM O=C([N-]c1nncs1)c1ccc(C(F)F)o1 ZINC001349193859 981517603 /nfs/dbraw/zinc/51/76/03/981517603.db2.gz ZJPLGNAQAJYFRG-UHFFFAOYSA-N -1 1 245.210 2.321 20 0 BEADMM CCOc1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240694414 981599190 /nfs/dbraw/zinc/59/91/90/981599190.db2.gz RJMZZOWUJBMQSI-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM Cc1nc(-c2cc(F)ccc2[O-])nc2nc[nH]c21 ZINC001240693784 981600043 /nfs/dbraw/zinc/60/00/43/981600043.db2.gz YVYFYDIIKLLVHC-UHFFFAOYSA-N -1 1 244.229 2.125 20 0 BEADMM Cc1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240693660 981600623 /nfs/dbraw/zinc/60/06/23/981600623.db2.gz FFIPBROWZBBIIR-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM [O-]c1ccc(-c2ncncc2F)cc1F ZINC001240783661 981821659 /nfs/dbraw/zinc/82/16/59/981821659.db2.gz VIUVZFCNIIDBLZ-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM Cc1ccnnc1-c1ccc([O-])c(F)c1 ZINC001240783179 981821815 /nfs/dbraw/zinc/82/18/15/981821815.db2.gz NQNBTQWQSXWHIO-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM NC(=S)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240783266 981823714 /nfs/dbraw/zinc/82/37/14/981823714.db2.gz RQCXTSVRRMYBGX-UHFFFAOYSA-N -1 1 248.282 2.228 20 0 BEADMM COc1cnc(-c2ccc([O-])c(F)c2)nc1C ZINC001240783621 981823729 /nfs/dbraw/zinc/82/37/29/981823729.db2.gz REPLENNUIRBPJX-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM Cn1ccc2c1ncnc2-c1ccc([O-])c(F)c1 ZINC001240783509 981823857 /nfs/dbraw/zinc/82/38/57/981823857.db2.gz TXOYVYOLMDQTNW-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM O=C([O-])c1ccc(-c2cccc3[nH]nnc32)s1 ZINC001240847668 981886021 /nfs/dbraw/zinc/88/60/21/981886021.db2.gz YJTQJQGAUWKCBW-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM O=C([O-])c1ccc(-c2cncc3[nH]cnc32)s1 ZINC001240848637 981888041 /nfs/dbraw/zinc/88/80/41/981888041.db2.gz TWVAOOYMINCDQS-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM O=C([O-])c1ccc(-c2cncc3nc[nH]c32)s1 ZINC001240848637 981888043 /nfs/dbraw/zinc/88/80/43/981888043.db2.gz TWVAOOYMINCDQS-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM Cc1nocc1[N-]C(=O)c1csc(Cl)n1 ZINC001586345870 981989318 /nfs/dbraw/zinc/98/93/18/981989318.db2.gz ZNUXPQYZGOULLJ-UHFFFAOYSA-N -1 1 243.675 2.345 20 0 BEADMM O=C(Nc1c(F)cc([O-])cc1F)OCCF ZINC001194971499 982005211 /nfs/dbraw/zinc/00/52/11/982005211.db2.gz JALJJWFQZDRQQH-UHFFFAOYSA-N -1 1 235.161 2.188 20 0 BEADMM O=C(Nc1cc(F)c([O-])cc1F)OCCF ZINC001194966641 982005241 /nfs/dbraw/zinc/00/52/41/982005241.db2.gz ICLGKQRRPZLSTO-UHFFFAOYSA-N -1 1 235.161 2.188 20 0 BEADMM Cc1ccccc1CNC(=O)c1ccc([O-])cn1 ZINC001586927472 982033643 /nfs/dbraw/zinc/03/36/43/982033643.db2.gz CKVJYABVEQYAOO-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM O=C(NCc1ccco1)c1ccc(F)c([O-])c1 ZINC001587036936 982043573 /nfs/dbraw/zinc/04/35/73/982043573.db2.gz ORODDTJYIARFMM-UHFFFAOYSA-N -1 1 235.214 2.054 20 0 BEADMM O=C(Nc1cccc(F)c1[O-])c1nccs1 ZINC001587389736 982070935 /nfs/dbraw/zinc/07/09/35/982070935.db2.gz QOOUBXBWTZHIOH-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM Cc1ccc([O-])c(C(=O)N(C(C)C)C(C)C)n1 ZINC001195318299 982199409 /nfs/dbraw/zinc/19/94/09/982199409.db2.gz KNTTWQMOEBCEDI-UHFFFAOYSA-N -1 1 236.315 2.355 20 0 BEADMM Cc1ccnnc1-c1c(F)cc([O-])cc1F ZINC001241117604 982236120 /nfs/dbraw/zinc/23/61/20/982236120.db2.gz SMOALGSOPJQEIJ-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM [O-]c1cc(F)c(-c2ccn3ncnc3c2)c(F)c1 ZINC001241122844 982247143 /nfs/dbraw/zinc/24/71/43/982247143.db2.gz ZDKQHXAISDVUHJ-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM Nc1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122507 982248409 /nfs/dbraw/zinc/24/84/09/982248409.db2.gz QLAIUJBPUTWURG-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM [O-]c1cc(F)c(-c2cccc3nncn32)c(F)c1 ZINC001241122702 982250790 /nfs/dbraw/zinc/25/07/90/982250790.db2.gz VZDYTRJHYKKXND-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM CCOC(=O)NC(=S)[N-]c1cc(C)cs1 ZINC001195458138 982263563 /nfs/dbraw/zinc/26/35/63/982263563.db2.gz LUUQKBHRGXWFGV-UHFFFAOYSA-N -1 1 244.341 2.499 20 0 BEADMM COc1cnc(-c2cc([O-])cc(F)c2)nc1C ZINC001241258054 982393880 /nfs/dbraw/zinc/39/38/80/982393880.db2.gz SONGCVWPGSQYCB-UHFFFAOYSA-N -1 1 234.230 2.305 20 0 BEADMM Cn1cnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291050 982425553 /nfs/dbraw/zinc/42/55/53/982425553.db2.gz HZNGMOJFSIOJGR-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Cc1cncnc1-c1c(F)ccc([O-])c1F ZINC001241291374 982433129 /nfs/dbraw/zinc/43/31/29/982433129.db2.gz YBWNPVHKYYFVCO-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM CC[C@@H](C)CN(C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001594960543 982710537 /nfs/dbraw/zinc/71/05/37/982710537.db2.gz HRDOWJDXZWUVCH-BDAKNGLRSA-N -1 1 240.303 2.412 20 0 BEADMM CCC[N@@H+](CC)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595865215 982823024 /nfs/dbraw/zinc/82/30/24/982823024.db2.gz XBIJGCCXIIEEQS-MRVPVSSYSA-N -1 1 226.276 2.166 20 0 BEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1(C)CC1 ZINC001353888996 983054200 /nfs/dbraw/zinc/05/42/00/983054200.db2.gz SXTRXEWCWSVRGC-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM O=C([O-])c1cncc(-c2cncc3cc[nH]c32)c1 ZINC001241801261 983055583 /nfs/dbraw/zinc/05/55/83/983055583.db2.gz GTMSFRNJNKFSSQ-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM C[C@@](CC(=O)[O-])(NCCF)c1cccc(F)c1 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/nfs/dbraw/zinc/65/40/62/991654062.db2.gz WAMMMHXYEPTMFZ-SKDRFNHKSA-N -1 1 237.274 2.175 20 0 BEADMM CC[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001566293307 991834972 /nfs/dbraw/zinc/83/49/72/991834972.db2.gz YSJGQAHLTHOOQL-VIFPVBQESA-N -1 1 237.274 2.403 20 0 BEADMM CC(C)CS(=O)(=O)[N-]c1cccs1 ZINC001259878731 992004052 /nfs/dbraw/zinc/00/40/52/992004052.db2.gz ZFLLAHMNFVWJJS-UHFFFAOYSA-N -1 1 219.331 2.146 20 0 BEADMM CCc1cccc([N-]S(=O)(=O)CC(C)C)n1 ZINC001259879690 992007971 /nfs/dbraw/zinc/00/79/71/992007971.db2.gz VTFSHKUNIOSORM-UHFFFAOYSA-N -1 1 242.344 2.042 20 0 BEADMM CC(C)CCN(C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591240470 992131615 /nfs/dbraw/zinc/13/16/15/992131615.db2.gz VTFUDROJPOVUSR-SECBINFHSA-N -1 1 240.303 2.412 20 0 BEADMM O=C(c1ccc(F)c([O-])c1)N1CC(C2CC2)C1 ZINC001569774973 992422730 /nfs/dbraw/zinc/42/27/30/992422730.db2.gz SZXKCMAGHDURJP-UHFFFAOYSA-N -1 1 235.258 2.013 20 0 BEADMM CC(=Cc1ccco1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001569836220 992430200 /nfs/dbraw/zinc/43/02/00/992430200.db2.gz QNGIEUJUEOUEAC-SREVYHEPSA-N -1 1 247.254 2.059 20 0 BEADMM COc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC000586736716 993400189 /nfs/dbraw/zinc/40/01/89/993400189.db2.gz NMBAJWVHJRDIIT-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1F ZINC001263893436 993580786 /nfs/dbraw/zinc/58/07/86/993580786.db2.gz XDWLWTJUOHHQOO-CBAPKCEASA-N -1 1 243.665 2.020 20 0 BEADMM CC(C)CN(C(=O)c1ccc([O-])cn1)C1CC1 ZINC001290669955 994551047 /nfs/dbraw/zinc/55/10/47/994551047.db2.gz WMBPELVGFSVLOZ-UHFFFAOYSA-N -1 1 234.299 2.048 20 0 BEADMM CC(C)N(C(=O)c1ccc([O-])cn1)C1CCC1 ZINC001293841767 994668163 /nfs/dbraw/zinc/66/81/63/994668163.db2.gz XUKREICXAIFCMV-UHFFFAOYSA-N -1 1 234.299 2.190 20 0 BEADMM O=C(NCC1(C2CC2)CC1)c1ccc(F)c([O-])c1 ZINC001295352427 994750031 /nfs/dbraw/zinc/75/00/31/994750031.db2.gz ILZFOLOVMZHLND-UHFFFAOYSA-N -1 1 249.285 2.451 20 0 BEADMM CC1(C)CCC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001296531597 994819200 /nfs/dbraw/zinc/81/92/00/994819200.db2.gz ADFQMDZZBVQEJK-SNVBAGLBSA-N -1 1 248.326 2.486 20 0 BEADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)[C@H]1C ZINC001298618823 994942186 /nfs/dbraw/zinc/94/21/86/994942186.db2.gz QCBWHDKBRKGVDJ-YUMQZZPRSA-N -1 1 223.247 2.012 20 0 BEADMM C[C@H](NC(=O)c1cccc([O-])c1F)C1(C)CC1 ZINC001304454591 995200682 /nfs/dbraw/zinc/20/06/82/995200682.db2.gz CKJVMORPFMAJGY-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001540756613 1170073001 /nfs/dbraw/zinc/07/30/01/1170073001.db2.gz WWRDYIHAKACANY-NXEZZACHSA-N -1 1 234.299 2.096 20 0 BEADMM O=C(NCC1CCC1)c1cccc([O-])c1F ZINC001540743486 1170073030 /nfs/dbraw/zinc/07/30/30/1170073030.db2.gz NZRPBKLWGYKSPR-UHFFFAOYSA-N -1 1 223.247 2.061 20 0 BEADMM Cc1nc(C(=O)Nc2cccc(F)c2[O-])co1 ZINC001557957095 1170085289 /nfs/dbraw/zinc/08/52/89/1170085289.db2.gz QMDNMHPLLCIPKK-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM CC1(C)CN(Cc2ccc(C(=O)[O-])[nH]2)C1(C)C ZINC001609818333 1170295313 /nfs/dbraw/zinc/29/53/13/1170295313.db2.gz IONPHOJBEPNCKF-UHFFFAOYSA-N -1 1 236.315 2.333 20 0 BEADMM O=C(Nc1ccc(O)cc1)c1ccc(F)c([O-])c1 ZINC001622453927 1170888822 /nfs/dbraw/zinc/88/88/22/1170888822.db2.gz KMJPGODUIKJXKY-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM O=C(Nc1nccs1)c1cccc([O-])c1F ZINC001623403917 1170950318 /nfs/dbraw/zinc/95/03/18/1170950318.db2.gz JPANVGCCSPVGAG-UHFFFAOYSA-N -1 1 238.243 2.240 20 0 BEADMM O=C(NC(C1CC1)C1CC1)c1ccc(F)c([O-])c1 ZINC001623859468 1170978487 /nfs/dbraw/zinc/97/84/87/1170978487.db2.gz SRJIAUGNHWUYTR-UHFFFAOYSA-N -1 1 249.285 2.450 20 0 BEADMM CCN(CCC1CC1)C(=O)c1ccc([O-])cn1 ZINC001624707350 1171052528 /nfs/dbraw/zinc/05/25/28/1171052528.db2.gz XPKSGMAUTVVBOD-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM Cc1cccnc1NC(=O)c1cccc([O-])c1F ZINC001624690461 1171053727 /nfs/dbraw/zinc/05/37/27/1171053727.db2.gz UIVYAUKOQXUEKV-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CN(CC1CCCCC1)C(=O)c1ccc([O-])cn1 ZINC001625237337 1171084930 /nfs/dbraw/zinc/08/49/30/1171084930.db2.gz DGFLCBKQGYAUGE-UHFFFAOYSA-N -1 1 248.326 2.440 20 0 BEADMM C[C@H]1CC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001627047979 1171148500 /nfs/dbraw/zinc/14/85/00/1171148500.db2.gz MQBDTCNEPUMSHX-CBAPKCEASA-N -1 1 223.247 2.060 20 0 BEADMM CCC1(NC(=O)c2ccc([O-])cn2)CCCC1 ZINC001628032707 1171201073 /nfs/dbraw/zinc/20/10/73/1171201073.db2.gz LXTVDEKBDPZDPJ-UHFFFAOYSA-N -1 1 234.299 2.240 20 0 BEADMM CC(C)C1(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001628222683 1171215593 /nfs/dbraw/zinc/21/55/93/1171215593.db2.gz KGHDHLIJZFLGGA-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001628329809 1171225101 /nfs/dbraw/zinc/22/51/01/1171225101.db2.gz QFXIKTMFZWOBKL-MWLCHTKSSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)C[C@@H]1C ZINC001628704214 1171258961 /nfs/dbraw/zinc/25/89/61/1171258961.db2.gz QZHIQSRDNRFDDT-IUCAKERBSA-N -1 1 237.274 2.259 20 0 BEADMM O=C(NCCC1CCCCC1)c1ccc([O-])cn1 ZINC001629838530 1171346170 /nfs/dbraw/zinc/34/61/70/1171346170.db2.gz BEWSTCUYOISFSW-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(C)CC2)c1 ZINC001630568967 1171404718 /nfs/dbraw/zinc/40/47/18/1171404718.db2.gz WCLYBNWGJHDAHV-UHFFFAOYSA-N -1 1 247.294 2.043 20 0 BEADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001632329113 1171501400 /nfs/dbraw/zinc/50/14/00/1171501400.db2.gz IFYDQIUMVUCUOX-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM CC[C@@H]1CCN(C(=O)c2ncc(C)cc2[O-])[C@H]1C ZINC001633403204 1171575444 /nfs/dbraw/zinc/57/54/44/1171575444.db2.gz BPQHZPLMYZKTOS-WDEREUQCSA-N -1 1 248.326 2.356 20 0 BEADMM C[C@@H](CCC1CC1)NC(=O)c1ccc([O-])cn1 ZINC001633643255 1171595772 /nfs/dbraw/zinc/59/57/72/1171595772.db2.gz PPBHJEJHAFRSBO-VIFPVBQESA-N -1 1 234.299 2.096 20 0 BEADMM O=C(N[C@@H]1CC=CCC1)c1ccc(F)c([O-])c1 ZINC001633991269 1171614646 /nfs/dbraw/zinc/61/46/46/1171614646.db2.gz LWSADOZFJNIFEL-SNVBAGLBSA-N -1 1 235.258 2.370 20 0 BEADMM Cc1nc(C)c(C(=O)Nc2cccc(F)c2O)[nH]1 ZINC001635724792 1171756953 /nfs/dbraw/zinc/75/69/53/1171756953.db2.gz BZNJZMFJLMTSRK-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM Cc1nc(C(=O)Nc2cccc(F)c2[O-])c(C)[nH]1 ZINC001635724792 1171756962 /nfs/dbraw/zinc/75/69/62/1171756962.db2.gz BZNJZMFJLMTSRK-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC001636087278 1171793416 /nfs/dbraw/zinc/79/34/16/1171793416.db2.gz GFCHEJGGGYCPPQ-SKDRFNHKSA-N -1 1 247.294 2.041 20 0 BEADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([O-])cn1 ZINC001636242834 1171812874 /nfs/dbraw/zinc/81/28/74/1171812874.db2.gz YDWMPVQLLSCVFD-NXEZZACHSA-N -1 1 248.326 2.342 20 0 BEADMM Cc1ccc(-c2nc3cccnc3c(=O)[n-]2)cn1 ZINC000491818714 538921981 /nfs/dbraw/zinc/92/19/81/538921981.db2.gz OPMWNFAYDOOAGB-UHFFFAOYSA-N -1 1 238.250 2.101 20 0 BEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619091 178202543 /nfs/dbraw/zinc/20/25/43/178202543.db2.gz PECDCQMLVSTTID-UTUOFQBUSA-N -1 1 247.342 2.284 20 0 BEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+](C)CC(C)C)n1 ZINC000268480153 178202852 /nfs/dbraw/zinc/20/28/52/178202852.db2.gz ZZGPEZIGHPPWJC-SNVBAGLBSA-N -1 1 223.320 2.139 20 0 BEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CCC2CC2)n1 ZINC000192695558 178203024 /nfs/dbraw/zinc/20/30/24/178203024.db2.gz ACIOOBHFGWJFMA-SNVBAGLBSA-N -1 1 235.331 2.284 20 0 BEADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)C(F)F ZINC000650460326 398261883 /nfs/dbraw/zinc/26/18/83/398261883.db2.gz JOBRQZFOPNJQIS-QMMMGPOBSA-N -1 1 247.216 2.305 20 0 BEADMM C[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000605435617 344000710 /nfs/dbraw/zinc/00/07/10/344000710.db2.gz SLFUSDQCCLCUSB-BQBZGAKWSA-N -1 1 209.220 2.126 20 0 BEADMM C[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000032102290 342797614 /nfs/dbraw/zinc/79/76/14/342797614.db2.gz XJRXELKANLJNTH-ZETCQYMHSA-N -1 1 245.681 2.384 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ccccc3)c(=O)c21 ZINC000634582417 342798104 /nfs/dbraw/zinc/79/81/04/342798104.db2.gz SRWCGUCHLIOZKU-JOYOIKCWSA-N -1 1 214.268 2.435 20 0 BEADMM CC(C)Cn1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634584098 342828694 /nfs/dbraw/zinc/82/86/94/342828694.db2.gz RWCKPGSMNWFGLO-ZJUUUORDSA-N -1 1 208.305 2.277 20 0 BEADMM CCc1c(=O)n(CC)[n-]c1-c1cccc(OC)c1 ZINC000634584926 342905360 /nfs/dbraw/zinc/90/53/60/342905360.db2.gz QYWNMOZJHMYVDZ-LBPRGKRZSA-N -1 1 246.310 2.288 20 0 BEADMM Cc1cccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC000605439068 344011029 /nfs/dbraw/zinc/01/10/29/344011029.db2.gz UVGAQOIFTOTOJC-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@H]1CCc2[n-]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591440 342941956 /nfs/dbraw/zinc/94/19/56/342941956.db2.gz DDHIQZUTEJPWKP-JQWIXIFHSA-N -1 1 243.310 2.216 20 0 BEADMM Cc1[n-]n(-c2ccc(Cl)cn2)c(=O)c1C1CC1 ZINC000634593070 342950152 /nfs/dbraw/zinc/95/01/52/342950152.db2.gz FBJKTPLAIVSXGC-LLVKDONJSA-N -1 1 249.701 2.484 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3ncccc3Cl)c(=O)c21 ZINC000634595209 342956716 /nfs/dbraw/zinc/95/67/16/342956716.db2.gz TZGIAMLXLCQZDZ-OIBJUYFYSA-N -1 1 249.701 2.484 20 0 BEADMM CCc1c(C)[n-]n(Cc2ccc(OC)cc2)c1=O ZINC000634597442 342974078 /nfs/dbraw/zinc/97/40/78/342974078.db2.gz KGQYMMAVEQTDDC-ZDUSSCGKSA-N -1 1 246.310 2.440 20 0 BEADMM COc1ccc(Cn2[n-]c3c(c2=O)CCC3)cc1 ZINC000634597485 342974442 /nfs/dbraw/zinc/97/44/42/342974442.db2.gz LNHFVAUCRKQDLZ-LBPRGKRZSA-N -1 1 244.294 2.194 20 0 BEADMM CCc1[n-]n(-c2ccc(C)nn2)c(=O)c1C(C)C ZINC000634600238 342992522 /nfs/dbraw/zinc/99/25/22/342992522.db2.gz AOJKXAMMVMIPSZ-GFCCVEGCSA-N -1 1 246.314 2.170 20 0 BEADMM CCc1[n-]n(-c2cc(C)ncn2)c(=O)c1C(C)C ZINC000634600557 342993139 /nfs/dbraw/zinc/99/31/39/342993139.db2.gz LLLAAAOTCGDWNH-LBPRGKRZSA-N -1 1 246.314 2.170 20 0 BEADMM COC[C@H](C)n1[n-]c2c(c1=O)CCCCCC2 ZINC000634611341 343008300 /nfs/dbraw/zinc/00/83/00/343008300.db2.gz SIZVNZLCKBEPBT-WDEREUQCSA-N -1 1 238.331 2.190 20 0 BEADMM O=c1c2c([n-]n1CCc1ccccc1F)CCC2 ZINC000634612213 343009015 /nfs/dbraw/zinc/00/90/15/343009015.db2.gz RRFFEAJGDSHBDM-LLVKDONJSA-N -1 1 246.285 2.367 20 0 BEADMM Cc1cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)ccn1 ZINC000634619149 343017893 /nfs/dbraw/zinc/01/78/93/343017893.db2.gz QFXSAROSHYYNKI-PRHODGIISA-N -1 1 229.283 2.139 20 0 BEADMM CCc1c(C)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634621708 343020431 /nfs/dbraw/zinc/02/04/31/343020431.db2.gz NRIHVJLNPJYTLF-MNOVXSKESA-N -1 1 238.331 2.188 20 0 BEADMM CCCc1c(C)[n-]n(CCc2ccccn2)c1=O ZINC000634615258 343013441 /nfs/dbraw/zinc/01/34/41/343013441.db2.gz BSJLEGKBYZKHLV-CYBMUJFWSA-N -1 1 245.326 2.259 20 0 BEADMM CCCc1[n-]n(CC(C)(C)CO)c(=O)c1CC ZINC000634626745 343030702 /nfs/dbraw/zinc/03/07/02/343030702.db2.gz KZSRLHJXAHDOSA-SNVBAGLBSA-N -1 1 240.347 2.029 20 0 BEADMM CCCc1c(C)[n-]n([C@H]2CCSC2)c1=O ZINC000634627609 343033639 /nfs/dbraw/zinc/03/36/39/343033639.db2.gz GRRWLJFBKJDSKO-VHSXEESVSA-N -1 1 226.345 2.126 20 0 BEADMM C[C@@H]1CCc2[n-]n([C@H]3CCSC3)c(=O)c2C1 ZINC000634627799 343033992 /nfs/dbraw/zinc/03/39/92/343033992.db2.gz KVONGCQLOVVXSD-UTLUCORTSA-N -1 1 238.356 2.126 20 0 BEADMM O=c1c2c([n-]n1[C@H]1CCSC1)CCCCC2 ZINC000634627943 343034163 /nfs/dbraw/zinc/03/41/63/343034163.db2.gz OCEYWGNHZNWQTA-VHSXEESVSA-N -1 1 238.356 2.270 20 0 BEADMM CCCc1c(C)[n-]n(C[C@@H]2CCSC2)c1=O ZINC000634629464 343037108 /nfs/dbraw/zinc/03/71/08/343037108.db2.gz VFMZWZPGHNBZET-QWRGUYRKSA-N -1 1 240.372 2.374 20 0 BEADMM Cc1ccc(C[N@@H+](C)Cc2ncccc2O)o1 ZINC000576931916 365724260 /nfs/dbraw/zinc/72/42/60/365724260.db2.gz CBIGRLRTMYYTCE-UHFFFAOYSA-N -1 1 232.283 2.321 20 0 BEADMM C[N@H+](CCCCO)Cc1cc(O)ccc1Cl ZINC000625366191 343260920 /nfs/dbraw/zinc/26/09/20/343260920.db2.gz LZVLJJOMZXRSSJ-UHFFFAOYSA-N -1 1 243.734 2.250 20 0 BEADMM CCN(C(=O)c1ncccc1[O-])C1CCCC1 ZINC000037760724 343354205 /nfs/dbraw/zinc/35/42/05/343354205.db2.gz AESGLKJLMLQUCQ-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM CN(C(=O)c1ncccc1[O-])C1CC(C)(C)C1 ZINC000335656629 136306538 /nfs/dbraw/zinc/30/65/38/136306538.db2.gz PQTBMUJQSNCBQJ-UHFFFAOYSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CCC[C@@H](CNC(=O)c2cncc([O-])c2)C1 ZINC000171866092 259358533 /nfs/dbraw/zinc/35/85/33/259358533.db2.gz OSGOMHRVIFVYTA-WDEREUQCSA-N -1 1 248.326 2.343 20 0 BEADMM CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000042447366 343438376 /nfs/dbraw/zinc/43/83/76/343438376.db2.gz CYGLUWLOJLTRPW-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM Cc1cnc(C(=O)N2CC(C)=C[C@@H](C)C2)c([O-])c1 ZINC000335850967 136355228 /nfs/dbraw/zinc/35/52/28/136355228.db2.gz ZWMGLKZILPBHHB-SNVBAGLBSA-N -1 1 246.310 2.134 20 0 BEADMM C[C@H]1CCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000230716573 346957292 /nfs/dbraw/zinc/95/72/92/346957292.db2.gz OLHSERRHNRVQPZ-BQBZGAKWSA-N -1 1 209.211 2.101 20 0 BEADMM CCC[C@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000393170501 343755028 /nfs/dbraw/zinc/75/50/28/343755028.db2.gz FIHXMMDZKLLDHM-QMMMGPOBSA-N -1 1 242.344 2.462 20 0 BEADMM CC1CC(CNC(=O)c2ccc([O-])cc2F)C1 ZINC000622238955 344465428 /nfs/dbraw/zinc/46/54/28/344465428.db2.gz JSVZYANMXBDLKN-UHFFFAOYSA-N -1 1 237.274 2.307 20 0 BEADMM CC[C@H](C)N(CC)C(=O)c1cncc([O-])c1 ZINC000082650879 345572218 /nfs/dbraw/zinc/57/22/18/345572218.db2.gz GRMDDXRJAZTOIP-VIFPVBQESA-N -1 1 222.288 2.048 20 0 BEADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)C(F)F ZINC000684340732 488295264 /nfs/dbraw/zinc/29/52/64/488295264.db2.gz UKASCBRMFZVHPK-UHFFFAOYSA-N -1 1 247.216 2.305 20 0 BEADMM CS(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000186516539 346517021 /nfs/dbraw/zinc/51/70/21/346517021.db2.gz NUCKBEHPEKHKLM-UHFFFAOYSA-N -1 1 248.307 2.120 20 0 BEADMM CC[C@H](C)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000616977303 347557661 /nfs/dbraw/zinc/55/76/61/347557661.db2.gz BPDHXBFONJHVBM-JTQLQIEISA-N -1 1 249.310 2.222 20 0 BEADMM CC[C@@H](C)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000616977304 347558180 /nfs/dbraw/zinc/55/81/80/347558180.db2.gz BPDHXBFONJHVBM-SNVBAGLBSA-N -1 1 249.310 2.222 20 0 BEADMM C[C@@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000070266810 349986683 /nfs/dbraw/zinc/98/66/83/349986683.db2.gz QISHMKYRWVNKTD-QMMMGPOBSA-N -1 1 231.217 2.469 20 0 BEADMM CC12CC(C1)CN2C(=O)c1ccc([O-])cc1F ZINC000621215504 348442338 /nfs/dbraw/zinc/44/23/38/348442338.db2.gz HMAKIHRAMNUSBO-UHFFFAOYSA-N -1 1 235.258 2.156 20 0 BEADMM C[C@H](SCc1nn[n-]n1)c1ccccc1 ZINC000095230352 349370533 /nfs/dbraw/zinc/37/05/33/349370533.db2.gz NDMCSCQUZAODHH-QMMMGPOBSA-N -1 1 220.301 2.194 20 0 BEADMM Cc1nc(SC[C@H]2CCCO2)[n-]c(=O)c1C ZINC000340709465 180030869 /nfs/dbraw/zinc/03/08/69/180030869.db2.gz UIJGLWBGEZOCLQ-SECBINFHSA-N -1 1 240.328 2.070 20 0 BEADMM Cc1nc(SCCC[C@@H](C)O)[n-]c(=O)c1C ZINC000331076234 180030877 /nfs/dbraw/zinc/03/08/77/180030877.db2.gz VTCOLRJSIJVLNB-SSDOTTSWSA-N -1 1 242.344 2.052 20 0 BEADMM CC1(C)CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111740063 350284788 /nfs/dbraw/zinc/28/47/88/350284788.db2.gz AXVIQEKDYYWLOM-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000162938363 350471805 /nfs/dbraw/zinc/47/18/05/350471805.db2.gz WZZNBRIVXKRASB-BDAKNGLRSA-N -1 1 237.274 2.402 20 0 BEADMM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000162938586 350472906 /nfs/dbraw/zinc/47/29/06/350472906.db2.gz WZZNBRIVXKRASB-RKDXNWHRSA-N -1 1 237.274 2.402 20 0 BEADMM CC(C)[C@]1(C)C[C@H]1[N-]C(=O)C(F)(F)F ZINC000306738055 350911078 /nfs/dbraw/zinc/91/10/78/350911078.db2.gz ACSXONNYGWPYKT-SVRRBLITSA-N -1 1 209.211 2.100 20 0 BEADMM CC[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000306767209 350996364 /nfs/dbraw/zinc/99/63/64/350996364.db2.gz OSIMDDKHDOMQML-RNFRBKRXSA-N -1 1 209.211 2.244 20 0 BEADMM CC1(C)C[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228840128 191136322 /nfs/dbraw/zinc/13/63/22/191136322.db2.gz JFUVMNNKVPOARP-SECBINFHSA-N -1 1 223.247 2.060 20 0 BEADMM Cn1cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334244736 352833511 /nfs/dbraw/zinc/83/35/11/352833511.db2.gz RZNDWAHUVYAIGW-UHFFFAOYSA-N -1 1 234.230 2.122 20 0 BEADMM Cc1noc(C)c1[N-]C(=O)c1cncs1 ZINC000334326644 352962094 /nfs/dbraw/zinc/96/20/94/352962094.db2.gz GXIPCUKCDBBMMX-UHFFFAOYSA-N -1 1 223.257 2.000 20 0 BEADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCC1 ZINC000188364703 188172514 /nfs/dbraw/zinc/17/25/14/188172514.db2.gz RSLKCBAISZHMGW-UHFFFAOYSA-N -1 1 226.663 2.179 20 0 BEADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000135838877 538117206 /nfs/dbraw/zinc/11/72/06/538117206.db2.gz YOJOMVZEIILOPJ-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM C[C@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000191367502 353465688 /nfs/dbraw/zinc/46/56/88/353465688.db2.gz KALHFMGTHDXRLI-CMPLNLGQSA-N -1 1 248.326 2.486 20 0 BEADMM CCC1(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000336236673 188438977 /nfs/dbraw/zinc/43/89/77/188438977.db2.gz PCWDDCTYSCQZET-UHFFFAOYSA-N -1 1 223.247 2.204 20 0 BEADMM CN(C(=O)c1cncc([O-])c1)C1(C)CCCC1 ZINC000334522390 353889663 /nfs/dbraw/zinc/88/96/63/353889663.db2.gz DJBYMFCEPYSQJD-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM CCC1([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000334806540 354563234 /nfs/dbraw/zinc/56/32/34/354563234.db2.gz WYYOQNGSDOOVSI-UHFFFAOYSA-N -1 1 249.332 2.108 20 0 BEADMM CCC1(N=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000379447844 358488087 /nfs/dbraw/zinc/48/80/87/358488087.db2.gz GDLNFLVCTHTZBA-SSDOTTSWSA-N -1 1 227.333 2.022 20 0 BEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC000335147082 354859797 /nfs/dbraw/zinc/85/97/97/354859797.db2.gz YCZZODMSVVJUBF-SNVBAGLBSA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC000335147081 354860115 /nfs/dbraw/zinc/86/01/15/354860115.db2.gz YCZZODMSVVJUBF-JTQLQIEISA-N -1 1 248.326 2.295 20 0 BEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC1(F)F ZINC000335213735 355051153 /nfs/dbraw/zinc/05/11/53/355051153.db2.gz BBUCIILRESHPMJ-SCSAIBSYSA-N -1 1 249.163 2.264 20 0 BEADMM O=C(NC[C@@H]1CC12CC2)c1ccc([O-])cc1F ZINC000335187744 355086981 /nfs/dbraw/zinc/08/69/81/355086981.db2.gz CFNKAUZTUUKMML-QMMMGPOBSA-N -1 1 235.258 2.061 20 0 BEADMM CCC[C@H](O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000412994682 191332900 /nfs/dbraw/zinc/33/29/00/191332900.db2.gz BKOSMLMADRELME-VIFPVBQESA-N -1 1 242.344 2.052 20 0 BEADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000335281565 355271949 /nfs/dbraw/zinc/27/19/49/355271949.db2.gz BLICFZUKTOJMGQ-MNOVXSKESA-N -1 1 248.326 2.499 20 0 BEADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)no1 ZINC000608365513 355378944 /nfs/dbraw/zinc/37/89/44/355378944.db2.gz LJOPEXZGFMADCP-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM CCOc1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000335789376 355440588 /nfs/dbraw/zinc/44/05/88/355440588.db2.gz VDKIJMUTEHSLAY-UHFFFAOYSA-N -1 1 249.719 2.110 20 0 BEADMM Cc1noc(C)c1NC(=O)c1ccccc1[O-] ZINC000335801810 355470863 /nfs/dbraw/zinc/47/08/63/355470863.db2.gz ZTEYOYOZEPPOII-UHFFFAOYSA-N -1 1 232.239 2.249 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000067738968 324809610 /nfs/dbraw/zinc/80/96/10/324809610.db2.gz AOHKEKDHVFJLFN-UHFFFAOYSA-N -1 1 211.648 2.394 20 0 BEADMM CC[C@@H](C)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000617641347 356257020 /nfs/dbraw/zinc/25/70/20/356257020.db2.gz NDXZBGMKJXSMTH-SNVBAGLBSA-N -1 1 249.310 2.127 20 0 BEADMM CS[C@H](C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000613517576 363470091 /nfs/dbraw/zinc/47/00/91/363470091.db2.gz UHOICTANRRBNEE-SSDOTTSWSA-N -1 1 243.303 2.013 20 0 BEADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000111739334 356698226 /nfs/dbraw/zinc/69/82/26/356698226.db2.gz VGOIFNDWRWCNQJ-MFKMUULPSA-N -1 1 248.326 2.486 20 0 BEADMM [O-]c1ccc(-c2nc(-c3cocn3)no2)c(F)c1 ZINC000350877629 366360067 /nfs/dbraw/zinc/36/00/67/366360067.db2.gz LTFHWGZGPYNOBT-UHFFFAOYSA-N -1 1 247.185 2.236 20 0 BEADMM CC(=O)c1[n-]c(=N[C@@H]2CCC[C@@H]2F)sc1C ZINC000450541724 202191815 /nfs/dbraw/zinc/19/18/15/202191815.db2.gz FODKZRJHAJDYEV-DTWKUNHWSA-N -1 1 242.319 2.379 20 0 BEADMM Cc1cnc(SCC[C@H]2CCOC2)[n-]c1=O ZINC000582736672 357377604 /nfs/dbraw/zinc/37/76/04/357377604.db2.gz FBHGOHNHBZWRRG-SECBINFHSA-N -1 1 240.328 2.009 20 0 BEADMM CCC[C@@H](C(=O)[O-])N(C)Cc1scnc1C ZINC000216640629 357446900 /nfs/dbraw/zinc/44/69/00/357446900.db2.gz ORUMWWFGTSICQS-VIFPVBQESA-N -1 1 242.344 2.137 20 0 BEADMM C[C@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000235636521 357926379 /nfs/dbraw/zinc/92/63/79/357926379.db2.gz HZMYEWUHKJLXPG-IUCAKERBSA-N -1 1 237.274 2.450 20 0 BEADMM CN(CCC(=O)[O-])Cc1cccc(Cl)c1F ZINC000229260369 358373048 /nfs/dbraw/zinc/37/30/48/358373048.db2.gz LQLAPBKUCRFJAS-UHFFFAOYSA-N -1 1 245.681 2.386 20 0 BEADMM Cc1ccc(CNC(=O)c2ncccc2[O-])s1 ZINC000050226716 358721387 /nfs/dbraw/zinc/72/13/87/358721387.db2.gz UHAUPWSOAQLGMT-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM CCC[C@H](CC)NC(=O)c1ncccc1[O-] ZINC000050406249 358729136 /nfs/dbraw/zinc/72/91/36/358729136.db2.gz IJRASNARJDZGBQ-VIFPVBQESA-N -1 1 222.288 2.096 20 0 BEADMM CC[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000079055471 359709308 /nfs/dbraw/zinc/70/93/08/359709308.db2.gz BTINMXWHTVZUSF-LLVKDONJSA-N -1 1 248.326 2.440 20 0 BEADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c[n-][nH]c2=O)C1(C)C ZINC001641598345 1172270024 /nfs/dbraw/zinc/27/00/24/1172270024.db2.gz VIHHMBZIRYGYRF-SCZZXKLOSA-N -1 1 249.314 2.292 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)C1CC2(C1)CCCCC2 ZINC001641601754 1172274956 /nfs/dbraw/zinc/27/49/56/1172274956.db2.gz YPAJELPQQSASTI-UHFFFAOYSA-N -1 1 249.314 2.414 20 0 BEADMM CC(C)[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000096481490 360348461 /nfs/dbraw/zinc/34/84/61/360348461.db2.gz XFOHRAIKGMDXGQ-LBPRGKRZSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628960093 360773153 /nfs/dbraw/zinc/77/31/53/360773153.db2.gz SXKZECUKOQQYTB-RNFRBKRXSA-N -1 1 209.220 2.126 20 0 BEADMM CC[C@H](C)OCC(=O)Nc1cccc(F)c1[O-] ZINC000628960523 360773166 /nfs/dbraw/zinc/77/31/66/360773166.db2.gz KOUGVGXGBUNDAL-QMMMGPOBSA-N -1 1 241.262 2.285 20 0 BEADMM CC(C)c1nc(=NC[C@@H]2C[C@H]2C2CCC2)o[n-]1 ZINC000579102574 366710727 /nfs/dbraw/zinc/71/07/27/366710727.db2.gz DYHHETXPBSBNRE-QWRGUYRKSA-N -1 1 235.331 2.463 20 0 BEADMM CCCc1c(C)[n-]n(-c2ccncc2)c1=O ZINC000614190473 363751417 /nfs/dbraw/zinc/75/14/17/363751417.db2.gz WTLZIWBVCYDQST-LLVKDONJSA-N -1 1 217.272 2.220 20 0 BEADMM 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ZINC000630707675 364478557 /nfs/dbraw/zinc/47/85/57/364478557.db2.gz DSEKUBAERHQYCS-UHFFFAOYSA-N -1 1 227.691 2.066 20 0 BEADMM CCC(CC)[C@H](C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615220561 364639242 /nfs/dbraw/zinc/63/92/42/364639242.db2.gz GLKUZQXQTXAYME-ZETCQYMHSA-N -1 1 239.319 2.435 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000615221281 364642680 /nfs/dbraw/zinc/64/26/80/364642680.db2.gz KLTOAYYKAGLNLI-UFBFGSQYSA-N -1 1 237.303 2.044 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CC(C)C ZINC000615223019 364643130 /nfs/dbraw/zinc/64/31/30/364643130.db2.gz WIBVCKXWWGPCCU-SSDOTTSWSA-N -1 1 225.292 2.044 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)C1CCCC1 ZINC000615226195 364645773 /nfs/dbraw/zinc/64/57/73/364645773.db2.gz JKDJIMPGENGCRQ-SSDOTTSWSA-N -1 1 237.303 2.189 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)C(C)(C)C ZINC000615227999 364646453 /nfs/dbraw/zinc/64/64/53/364646453.db2.gz UUWKIBMDCQVCCF-ZCFIWIBFSA-N -1 1 225.292 2.044 20 0 BEADMM 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/nfs/dbraw/zinc/60/90/30/387609030.db2.gz WYZPJYDSZPVKMP-UHFFFAOYSA-N -1 1 234.328 2.368 20 0 BEADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000324228624 387627479 /nfs/dbraw/zinc/62/74/79/387627479.db2.gz XGGLCNLAZXMOGH-NSHDSACASA-N -1 1 237.274 2.450 20 0 BEADMM Cc1n[nH]c(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000128614182 387751516 /nfs/dbraw/zinc/75/15/16/387751516.db2.gz KTIOLYOPKUTFDK-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM CC(=O)c1ccc(C(=O)[N-]c2c(C)noc2C)o1 ZINC000446028774 387986265 /nfs/dbraw/zinc/98/62/65/387986265.db2.gz MYUCMGSBXZAOJQ-UHFFFAOYSA-N -1 1 248.238 2.339 20 0 BEADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000082306233 388027025 /nfs/dbraw/zinc/02/70/25/388027025.db2.gz HSGUXNCDSVNDNN-JTQLQIEISA-N -1 1 242.278 2.278 20 0 BEADMM Cc1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000082312241 388027931 /nfs/dbraw/zinc/02/79/31/388027931.db2.gz BJOLMESFTNJNGQ-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC000085060564 388083149 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/nfs/dbraw/zinc/91/96/02/1172919602.db2.gz RPRHAWASXVJMHU-DTWKUNHWSA-N -1 1 237.303 2.270 20 0 BEADMM O=C([O-])[C@@H]1CCN(Cc2ccsc2Cl)C1 ZINC000306258858 487607402 /nfs/dbraw/zinc/60/74/02/487607402.db2.gz RNIXDHXZRYDNDA-MRVPVSSYSA-N -1 1 245.731 2.308 20 0 BEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000650763000 410411729 /nfs/dbraw/zinc/41/17/29/410411729.db2.gz WLSXJCQSLPFMEI-SSDOTTSWSA-N -1 1 223.247 2.060 20 0 BEADMM CCc1cc(=O)n(-c2ccccc2C)[n-]1 ZINC000101753018 410795135 /nfs/dbraw/zinc/79/51/35/410795135.db2.gz TXNMRGRXYZKJLN-UHFFFAOYSA-N -1 1 202.257 2.498 20 0 BEADMM CC(C)O[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000295459514 167278327 /nfs/dbraw/zinc/27/83/27/167278327.db2.gz BUPVZJHDUBNLML-SECBINFHSA-N -1 1 225.263 2.385 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000654309354 411369884 /nfs/dbraw/zinc/36/98/84/411369884.db2.gz GBTLAYZESNBMPE-RITPCOANSA-N -1 1 227.210 2.265 20 0 BEADMM CC1(NC(=O)c2c([O-])cccc2F)CCC1 ZINC000130741504 168060393 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/nfs/dbraw/zinc/84/54/44/173845444.db2.gz IIRVGHQOPHDEDX-YUMQZZPRSA-N -1 1 240.328 2.477 20 0 BEADMM COc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000082325867 175277745 /nfs/dbraw/zinc/27/77/45/175277745.db2.gz YYGLPFRBLPIADL-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM C[C@@H](C(=O)[O-])N(Cc1cccs1)C1CC1 ZINC000042516186 175624927 /nfs/dbraw/zinc/62/49/27/175624927.db2.gz XZSAUTQNNRGKAX-QMMMGPOBSA-N -1 1 225.313 2.186 20 0 BEADMM C[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072874575 176110782 /nfs/dbraw/zinc/11/07/82/176110782.db2.gz XXIRVRRTHHBQCO-MRVPVSSYSA-N -1 1 249.339 2.381 20 0 BEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H](C)C1 ZINC000119361217 176165331 /nfs/dbraw/zinc/16/53/31/176165331.db2.gz JCEMPXYNIWYDCE-MNOVXSKESA-N -1 1 248.326 2.295 20 0 BEADMM C[C@@H]1CC[C@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000336586539 176227987 /nfs/dbraw/zinc/22/79/87/176227987.db2.gz SAGZPFHRIGZVIE-KOLCDFICSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000082312171 177029995 /nfs/dbraw/zinc/02/99/95/177029995.db2.gz LOFZFICIEIHKNN-ZETCQYMHSA-N -1 1 249.295 2.037 20 0 BEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000110511037 177096923 /nfs/dbraw/zinc/09/69/23/177096923.db2.gz OWNIBODCYUSWIP-JTQLQIEISA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000037760579 177115757 /nfs/dbraw/zinc/11/57/57/177115757.db2.gz GGWRZKRQBOLCFC-AOOOYVTPSA-N -1 1 234.299 2.190 20 0 BEADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000042495517 177120436 /nfs/dbraw/zinc/12/04/36/177120436.db2.gz LKKWOASLIUMPKG-WDEREUQCSA-N -1 1 248.326 2.438 20 0 BEADMM C[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000037760690 177121982 /nfs/dbraw/zinc/12/19/82/177121982.db2.gz TXIABBCXFBYPLP-VHSXEESVSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000154867392 177125723 /nfs/dbraw/zinc/12/57/23/177125723.db2.gz WWPXWIGYVPFOHJ-UFBFGSQYSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@H]1CC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000309463258 177194937 /nfs/dbraw/zinc/19/49/37/177194937.db2.gz VDELSVWJTXKDKB-CPCISQLKSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000295131061 177292354 /nfs/dbraw/zinc/29/23/54/177292354.db2.gz OMALPNXGUPFLRX-VIFPVBQESA-N -1 1 241.718 2.266 20 0 BEADMM CN(CC1CC1)C(=O)c1ccc([O-])c(F)c1 ZINC000681017939 487696267 /nfs/dbraw/zinc/69/62/67/487696267.db2.gz FASKWZNPNOONER-UHFFFAOYSA-N -1 1 223.247 2.013 20 0 BEADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681050205 487703303 /nfs/dbraw/zinc/70/33/03/487703303.db2.gz XSFJPYNSLRCNPQ-DTWKUNHWSA-N -1 1 237.274 2.402 20 0 BEADMM Cc1ccncc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681041203 487704934 /nfs/dbraw/zinc/70/49/34/487704934.db2.gz BDCHRERURLYGTK-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CCCc1cc(=O)[n-]c(S[C@@H](C)OC)n1 ZINC000901382240 584435963 /nfs/dbraw/zinc/43/59/63/584435963.db2.gz ZKEIBZRESORTLP-ZETCQYMHSA-N -1 1 228.317 2.219 20 0 BEADMM O=C(NC1CCC1)c1ncc2ccccc2c1[O-] ZINC000668414695 487715609 /nfs/dbraw/zinc/71/56/09/487715609.db2.gz GCRWLVXJRUVDMM-UHFFFAOYSA-N -1 1 242.278 2.223 20 0 BEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000676056007 487806649 /nfs/dbraw/zinc/80/66/49/487806649.db2.gz PUVYWIOALSAEFO-HTRCEHHLSA-N -1 1 209.220 2.126 20 0 BEADMM CC[C@@H](C)CCC(=O)[N-]OCC(F)(F)F ZINC000802767557 586313502 /nfs/dbraw/zinc/31/35/02/586313502.db2.gz RDHIJQXXHRHNKE-SSDOTTSWSA-N -1 1 227.226 2.423 20 0 BEADMM Cc1cnc(C(=O)N(C)CCC(C)C)c([O-])c1 ZINC000681711085 487846754 /nfs/dbraw/zinc/84/67/54/487846754.db2.gz OKIZHSINMRNWLE-UHFFFAOYSA-N -1 1 236.315 2.214 20 0 BEADMM Cc1cnc(C(=O)N2CCC[C@@H]2C2CC2)c([O-])c1 ZINC000681727752 487849711 /nfs/dbraw/zinc/84/97/11/487849711.db2.gz FWGBNNBOJBFVQA-LLVKDONJSA-N -1 1 246.310 2.110 20 0 BEADMM CCc1c(C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000109346142 487861999 /nfs/dbraw/zinc/86/19/99/487861999.db2.gz OQTFCPAUWSZOQI-GFCCVEGCSA-N -1 1 232.283 2.444 20 0 BEADMM Cc1[n-]n(CCCOc2ccccc2)c(=O)c1C ZINC000109351772 487862309 /nfs/dbraw/zinc/86/23/09/487862309.db2.gz DEASBJALTSFKLJ-NSHDSACASA-N -1 1 246.310 2.310 20 0 BEADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1F ZINC000403648762 487873146 /nfs/dbraw/zinc/87/31/46/487873146.db2.gz QWWDXTSTWWMOIA-OPRDCNLKSA-N -1 1 249.285 2.450 20 0 BEADMM C[C@H]1C[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000043115197 323258128 /nfs/dbraw/zinc/25/81/28/323258128.db2.gz WHKJBSZDQHLSRY-YUMQZZPRSA-N -1 1 239.702 2.431 20 0 BEADMM CC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000571881612 323497467 /nfs/dbraw/zinc/49/74/67/323497467.db2.gz VBCARMVNZFCDLZ-LLVKDONJSA-N -1 1 233.267 2.386 20 0 BEADMM O=C(NCC1CC=CC1)c1ccc([O-])c(F)c1 ZINC000529708670 324381982 /nfs/dbraw/zinc/38/19/82/324381982.db2.gz ADJSNXSNAYVEBE-UHFFFAOYSA-N -1 1 235.258 2.227 20 0 BEADMM O=C(NC1(C2CC2)CC1)c1c([O-])cccc1F ZINC000548130886 325433677 /nfs/dbraw/zinc/43/36/77/325433677.db2.gz DBCXNSCGRZDTER-UHFFFAOYSA-N -1 1 235.258 2.204 20 0 BEADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccoc1 ZINC000568061370 326302660 /nfs/dbraw/zinc/30/26/60/326302660.db2.gz DHRBGBKKYOAYSN-NSHDSACASA-N -1 1 225.288 2.211 20 0 BEADMM CC[C@H]1C[N@@H+](Cc2ncccc2O)CCS1 ZINC000569052476 326387965 /nfs/dbraw/zinc/38/79/65/326387965.db2.gz STSWIZOITDEDAB-JTQLQIEISA-N -1 1 238.356 2.115 20 0 BEADMM O=C([O-])c1ccc(CN2CC=CCC2)cc1F ZINC000382535224 487545980 /nfs/dbraw/zinc/54/59/80/487545980.db2.gz ODVBRFHITPUUBC-UHFFFAOYSA-N -1 1 235.258 2.286 20 0 BEADMM Cc1ncoc1C(=O)Nc1c([O-])cccc1F ZINC000674326671 487560265 /nfs/dbraw/zinc/56/02/65/487560265.db2.gz QPTNAFRHGIYUES-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM CCc1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681090238 487718367 /nfs/dbraw/zinc/71/83/67/487718367.db2.gz MMGNMRAQUFWDRX-UHFFFAOYSA-N -1 1 249.245 2.069 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000676447159 487849893 /nfs/dbraw/zinc/84/98/93/487849893.db2.gz KRTKTMTWBLLRNI-SNVBAGLBSA-N -1 1 239.246 2.039 20 0 BEADMM CC(C)c1cc(C(=O)[N-]c2cnoc2)no1 ZINC000677887793 488148474 /nfs/dbraw/zinc/14/84/74/488148474.db2.gz GJSNZDOVDWGWRO-UHFFFAOYSA-N -1 1 221.216 2.038 20 0 BEADMM CC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227029815 488194921 /nfs/dbraw/zinc/19/49/21/488194921.db2.gz FMYCSJWRUWPSRI-MFKMUULPSA-N -1 1 233.311 2.469 20 0 BEADMM COCC[C@@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000129946855 490182117 /nfs/dbraw/zinc/18/21/17/490182117.db2.gz SYUCNVNQGKLGBH-SNVBAGLBSA-N -1 1 249.310 2.125 20 0 BEADMM CCC[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000080000450 490560978 /nfs/dbraw/zinc/56/09/78/490560978.db2.gz LZNQYZOCDPIRQK-MRVPVSSYSA-N -1 1 225.263 2.450 20 0 BEADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000605440742 491124551 /nfs/dbraw/zinc/12/45/51/491124551.db2.gz ZWEKHGBRXXAKMM-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@@H]1CC=CC[C@H]1[N-]C(=O)C(F)(F)F ZINC000890771727 582553075 /nfs/dbraw/zinc/55/30/75/582553075.db2.gz XJHQXAOVJNYGBW-RNFRBKRXSA-N -1 1 207.195 2.020 20 0 BEADMM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000300241615 534255635 /nfs/dbraw/zinc/25/56/35/534255635.db2.gz LFJYWMZRDVLNCS-BDAKNGLRSA-N -1 1 237.274 2.450 20 0 BEADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ncc(C)cc1[O-] ZINC000336102257 536175124 /nfs/dbraw/zinc/17/51/24/536175124.db2.gz CGKBHYILMCVDFB-QWRGUYRKSA-N -1 1 248.326 2.356 20 0 BEADMM COCc1nc(N[C@H](C)CC(C)C)cc(=O)[n-]1 ZINC000892951664 583017740 /nfs/dbraw/zinc/01/77/40/583017740.db2.gz PWKHBPCWWDOAQR-SECBINFHSA-N -1 1 239.319 2.175 20 0 BEADMM CC1(C)CCCC[C@@H]1COC(=O)c1cn[n-]n1 ZINC000853918880 588768804 /nfs/dbraw/zinc/76/88/04/588768804.db2.gz UUOHSQNUWUYNIH-SECBINFHSA-N -1 1 237.303 2.178 20 0 BEADMM CC[C@@H]1C[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854535646 588791031 /nfs/dbraw/zinc/79/10/31/588791031.db2.gz FWAPYNJHFPVGBK-MWLCHTKSSA-N -1 1 205.257 2.143 20 0 BEADMM C[C@H]1C[C@@H](C(=O)[N-]Oc2ccccc2)CCC1=O ZINC000854537520 588791676 /nfs/dbraw/zinc/79/16/76/588791676.db2.gz VINNGJAXEUCWSY-QWRGUYRKSA-N -1 1 247.294 2.102 20 0 BEADMM CCCC[C@@](C)(F)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854632918 588798123 /nfs/dbraw/zinc/79/81/23/588798123.db2.gz QKDXZNJXYKUBCB-LLVKDONJSA-N -1 1 243.282 2.281 20 0 BEADMM CC[C@H]1C[C@H](C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858430808 582461177 /nfs/dbraw/zinc/46/11/77/582461177.db2.gz GTHBMPVVOROXCL-YUMQZZPRSA-N -1 1 241.722 2.460 20 0 BEADMM O=C(N[C@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000829344406 582856511 /nfs/dbraw/zinc/85/65/11/582856511.db2.gz YVRNMWXUQXPFJC-VIFPVBQESA-N -1 1 237.686 2.494 20 0 BEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000895537621 583687254 /nfs/dbraw/zinc/68/72/54/583687254.db2.gz QVEXILHHXXVNOR-OOJXKGFFSA-N -1 1 239.706 2.292 20 0 BEADMM CCCCN(CC)c1cc(Cl)[n-]c(=O)n1 ZINC000858311627 588943947 /nfs/dbraw/zinc/94/39/47/588943947.db2.gz LHYKLGNXCKZKCD-UHFFFAOYSA-N -1 1 229.711 2.462 20 0 BEADMM CC(C)[C@@H](C)N(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858346746 588947663 /nfs/dbraw/zinc/94/76/63/588947663.db2.gz RCGHIQWLVDDJOW-SSDOTTSWSA-N -1 1 229.711 2.316 20 0 BEADMM CCN(CC(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858344756 588947934 /nfs/dbraw/zinc/94/79/34/588947934.db2.gz ADLCQVPIZYVKEF-UHFFFAOYSA-N -1 1 229.711 2.318 20 0 BEADMM CC1(C)CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858386266 588950129 /nfs/dbraw/zinc/95/01/29/588950129.db2.gz IIJTZENUIUXWSA-UHFFFAOYSA-N -1 1 241.722 2.462 20 0 BEADMM C[C@H]1CCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858392496 588951009 /nfs/dbraw/zinc/95/10/09/588951009.db2.gz DZIRSYCAXPKFSG-BQBZGAKWSA-N -1 1 227.695 2.436 20 0 BEADMM CC1(C)C[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858408435 588952106 /nfs/dbraw/zinc/95/21/06/588952106.db2.gz UBGWBNNFDKBXSF-LURJTMIESA-N -1 1 227.695 2.294 20 0 BEADMM CSCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858416129 588952363 /nfs/dbraw/zinc/95/23/63/588952363.db2.gz IQFGJYBZPYPPIQ-UHFFFAOYSA-N -1 1 233.724 2.001 20 0 BEADMM O=c1nc(N[C@@H]2CC=CCC2)cc(Cl)[n-]1 ZINC000858416580 588953028 /nfs/dbraw/zinc/95/30/28/588953028.db2.gz WSQCGQIPDUWVLC-SSDOTTSWSA-N -1 1 225.679 2.356 20 0 BEADMM O=c1nc(N2CCC3(CCC3)C2)cc(Cl)[n-]1 ZINC000858443181 588954664 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/nfs/dbraw/zinc/96/26/06/588962606.db2.gz ZPJIQVGGKDMHGA-ZCFIWIBFSA-N -1 1 245.735 2.001 20 0 BEADMM COc1cccc(-n2[n-]c(C)c(C(C)C)c2=O)n1 ZINC000899351457 584204984 /nfs/dbraw/zinc/20/49/84/584204984.db2.gz KQCJVJDXHUZUMF-GFCCVEGCSA-N -1 1 247.298 2.085 20 0 BEADMM CC(C)[C@@H]1CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858562644 588966340 /nfs/dbraw/zinc/96/63/40/588966340.db2.gz ORGWLVAZKNYAID-ZETCQYMHSA-N -1 1 227.695 2.070 20 0 BEADMM CC1(Nc2cc(Cl)[n-]c(=O)n2)CC=CC1 ZINC000858615417 588971346 /nfs/dbraw/zinc/97/13/46/588971346.db2.gz URXZGDSHMHGNCL-UHFFFAOYSA-N -1 1 225.679 2.356 20 0 BEADMM C[C@@]1(CNc2cc(Cl)[n-]c(=O)n2)CC1(F)F ZINC000858626946 588972085 /nfs/dbraw/zinc/97/20/85/588972085.db2.gz GGVWBDOXDQCECJ-QMMMGPOBSA-N -1 1 249.648 2.293 20 0 BEADMM O=C([O-])[C@@H]1CN(CC2(F)CC2)Cc2ccccc21 ZINC000901622584 584470124 /nfs/dbraw/zinc/47/01/24/584470124.db2.gz OZVSRAMOVHTZMQ-GFCCVEGCSA-N -1 1 249.285 2.173 20 0 BEADMM Cc1occc1CNCc1cc(C(=O)[O-])oc1C ZINC000902195975 584536719 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/nfs/dbraw/zinc/01/37/53/585013753.db2.gz JMCUOTXZUANZNB-QMMMGPOBSA-N -1 1 248.257 2.350 20 0 BEADMM CCO[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000739690357 585074856 /nfs/dbraw/zinc/07/48/56/585074856.db2.gz ZVVORUHDISXVPA-SNVBAGLBSA-N -1 1 207.273 2.166 20 0 BEADMM CO[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000740815853 585106947 /nfs/dbraw/zinc/10/69/47/585106947.db2.gz LMCBKGULPNWVMQ-GFCCVEGCSA-N -1 1 221.300 2.494 20 0 BEADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759349086 585370384 /nfs/dbraw/zinc/37/03/84/585370384.db2.gz HOHLDVYNYFHTID-MRVPVSSYSA-N -1 1 229.226 2.103 20 0 BEADMM O=C(OCC1CC1)c1c([O-])cc(F)cc1F ZINC000763949398 585457695 /nfs/dbraw/zinc/45/76/95/585457695.db2.gz UJOTYCPKBVOUQX-UHFFFAOYSA-N -1 1 228.194 2.237 20 0 BEADMM O=C(NCCC1CCC1)c1ccc([O-])c(F)c1 ZINC000768253480 585534681 /nfs/dbraw/zinc/53/46/81/585534681.db2.gz QOUCAUHEEJRDIU-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CS/C=C/C(=O)Nc1c([O-])cccc1F ZINC000770863847 585583197 /nfs/dbraw/zinc/58/31/97/585583197.db2.gz VQBPNXQCSAKBBD-AATRIKPKSA-N -1 1 227.260 2.347 20 0 BEADMM CC[C@@H]1C[C@@H](C(=O)[N-]Oc2ccccc2)CCO1 ZINC000773470117 585637379 /nfs/dbraw/zinc/63/73/79/585637379.db2.gz WCRSLPSCTVXMFO-NWDGAFQWSA-N -1 1 249.310 2.302 20 0 BEADMM CCOCCCOC(=O)c1ccc([O-])cc1F ZINC000773567910 585640319 /nfs/dbraw/zinc/64/03/19/585640319.db2.gz ZBUVRVDPZIANPM-UHFFFAOYSA-N -1 1 242.246 2.115 20 0 BEADMM O=C(OCc1cccnc1)c1ccc([O-])cc1F ZINC000773586735 585640838 /nfs/dbraw/zinc/64/08/38/585640838.db2.gz WPFJTTJVENOARF-UHFFFAOYSA-N -1 1 247.225 2.283 20 0 BEADMM CO[N-]C(=O)[C@H]1CCc2c1cccc2Cl ZINC000775653999 585682477 /nfs/dbraw/zinc/68/24/77/585682477.db2.gz QUEGEMGBJBFIBP-VIFPVBQESA-N -1 1 225.675 2.047 20 0 BEADMM Cc1cccc([C@@H](C)OC(=O)c2cn[n-]n2)c1 ZINC000805605215 585731997 /nfs/dbraw/zinc/73/19/97/585731997.db2.gz WRGLERBFHYEXIJ-SECBINFHSA-N -1 1 231.255 2.031 20 0 BEADMM C[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000781624406 585801104 /nfs/dbraw/zinc/80/11/04/585801104.db2.gz ZYTOJDWGLSLYIX-WPRPVWTQSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000781624405 585801132 /nfs/dbraw/zinc/80/11/32/585801132.db2.gz ZYTOJDWGLSLYIX-WCBMZHEXSA-N -1 1 237.274 2.450 20 0 BEADMM CC(C)[C@@H](F)C(=O)Nc1c([O-])cccc1F ZINC000784456554 585860515 /nfs/dbraw/zinc/86/05/15/585860515.db2.gz SWVKPHIDZOARRT-SECBINFHSA-N -1 1 229.226 2.464 20 0 BEADMM CC(C)[C@H](F)C(=O)Nc1c([O-])cccc1F ZINC000784456555 585860649 /nfs/dbraw/zinc/86/06/49/585860649.db2.gz SWVKPHIDZOARRT-VIFPVBQESA-N -1 1 229.226 2.464 20 0 BEADMM CCCCCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796346263 586101295 /nfs/dbraw/zinc/10/12/95/586101295.db2.gz SWKNYQFEFIXIGX-UHFFFAOYSA-N -1 1 239.271 2.148 20 0 BEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(C)C)[n-]1 ZINC000796986232 586118457 /nfs/dbraw/zinc/11/84/57/586118457.db2.gz ZABFDCHAIPIBDY-QMMMGPOBSA-N -1 1 239.271 2.003 20 0 BEADMM C[C@]1(C[N-]C(=O)C(F)(F)F)C[C@H]2C[C@H]2C1 ZINC000859358752 589033724 /nfs/dbraw/zinc/03/37/24/589033724.db2.gz KUPPAYGBKRQJPS-QMSLJYSESA-N -1 1 221.222 2.101 20 0 BEADMM C[C@H]1C[C@@H]1COC(=O)c1c([O-])cc(F)cc1F ZINC000859525089 589042647 /nfs/dbraw/zinc/04/26/47/589042647.db2.gz BDSKWJIQIJPPFN-NKWVEPMBSA-N -1 1 242.221 2.483 20 0 BEADMM CCc1cc(=O)[n-]c(SCOC2CCC2)n1 ZINC000808034225 586460048 /nfs/dbraw/zinc/46/00/48/586460048.db2.gz SRYBAZOIPKCKKM-UHFFFAOYSA-N -1 1 240.328 2.363 20 0 BEADMM O=C(Cc1cccs1)[N-]OC/C=C\Cl ZINC000812399505 586575609 /nfs/dbraw/zinc/57/56/09/586575609.db2.gz PYKKBBRECOSHOG-RQOWECAXSA-N -1 1 231.704 2.091 20 0 BEADMM CC(C)(CC(=O)[N-]OCC(F)F)C1CC1 ZINC000816104937 586709067 /nfs/dbraw/zinc/70/90/67/586709067.db2.gz KZPJUAJPESBXEU-UHFFFAOYSA-N -1 1 221.247 2.126 20 0 BEADMM Cc1sccc1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000859810522 589062895 /nfs/dbraw/zinc/06/28/95/589062895.db2.gz QAPSOJGMEUTXQU-LLVKDONJSA-N -1 1 243.303 2.055 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C1CC[C@@H](C)C1 ZINC000816740460 586761613 /nfs/dbraw/zinc/76/16/13/586761613.db2.gz DHGFDOVHEOESIK-TUOMEMKJSA-N 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2.222 20 0 BEADMM CC(C)[C@@H](CCN(C)C/C=C/Cl)NC(=O)[O-] ZINC000824098683 587255560 /nfs/dbraw/zinc/25/55/60/587255560.db2.gz KXDNTTOFCDDGID-DFVUYQKZSA-N -1 1 248.754 2.353 20 0 BEADMM C/C(=C\C(=O)[N-]OCC(F)(F)F)c1ccco1 ZINC000830443425 587551405 /nfs/dbraw/zinc/55/14/05/587551405.db2.gz IBMTVDAJIHZFCO-FNORWQNLSA-N -1 1 249.188 2.293 20 0 BEADMM Cc1ccnc(NCC[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830612294 587559874 /nfs/dbraw/zinc/55/98/74/587559874.db2.gz XUQHEZANQWCSOX-LLVKDONJSA-N -1 1 249.314 2.192 20 0 BEADMM C/C(=C/CN(C)[C@@H](C)c1ccccn1)C(=O)[O-] ZINC000833382755 587711807 /nfs/dbraw/zinc/71/18/07/587711807.db2.gz LMSYBHIZJNTGIU-BRNRAETOSA-N -1 1 234.299 2.105 20 0 BEADMM C/C(=C/CN(C)[C@H](C)c1ccccn1)C(=O)[O-] ZINC000833382761 587711997 /nfs/dbraw/zinc/71/19/97/587711997.db2.gz LMSYBHIZJNTGIU-ZJRUKIMVSA-N -1 1 234.299 2.105 20 0 BEADMM C/C(=C\CN(Cc1ccccn1)C1CC1)C(=O)[O-] ZINC000833385576 587712752 /nfs/dbraw/zinc/71/27/52/587712752.db2.gz VZMSDGMDKXXEQQ-YRNVUSSQSA-N -1 1 246.310 2.077 20 0 BEADMM CC(C)(C)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000833425872 587714279 /nfs/dbraw/zinc/71/42/79/587714279.db2.gz YVPFSDMOXWSKSV-SNVBAGLBSA-N -1 1 225.288 2.259 20 0 BEADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(F)CC1 ZINC000834822811 587767803 /nfs/dbraw/zinc/76/78/03/587767803.db2.gz QNMCQFKGFOHOGN-UHFFFAOYSA-N -1 1 243.665 2.164 20 0 BEADMM Cc1csc(CO[N-]C(=O)CC(C)(C)C)n1 ZINC000842063201 587994430 /nfs/dbraw/zinc/99/44/30/587994430.db2.gz KBHFNWXYKOIWML-UHFFFAOYSA-N -1 1 242.344 2.436 20 0 BEADMM COc1ccc2nc(-c3ccoc3)[n-]c(=O)c2c1 ZINC000105507384 588186072 /nfs/dbraw/zinc/18/60/72/588186072.db2.gz ALKZAMCKCNLXRL-UHFFFAOYSA-N -1 1 242.234 2.192 20 0 BEADMM COC[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)F ZINC000848313471 588372093 /nfs/dbraw/zinc/37/20/93/588372093.db2.gz UTIDUJUAMKQAHZ-ZETCQYMHSA-N -1 1 241.253 2.116 20 0 BEADMM Cc1cc(CN(CC(=O)[O-])C2CCC2)c(C)o1 ZINC000848640291 588403454 /nfs/dbraw/zinc/40/34/54/588403454.db2.gz OTNZZKKXLKYONS-UHFFFAOYSA-N -1 1 237.299 2.336 20 0 BEADMM O=C(Nc1ccncc1[O-])c1ccnc(Cl)c1 ZINC000109889524 588600533 /nfs/dbraw/zinc/60/05/33/588600533.db2.gz IJMPKBBNTIQZKT-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)nc1 ZINC000109889917 588600602 /nfs/dbraw/zinc/60/06/02/588600602.db2.gz SAJWCVMQTRCEOS-UHFFFAOYSA-N -1 1 249.657 2.088 20 0 BEADMM CC(C)(F)C(=O)Nc1cccc(F)c1[O-] ZINC000863009508 589251650 /nfs/dbraw/zinc/25/16/50/589251650.db2.gz GNOIAEFZXGLMCW-UHFFFAOYSA-N -1 1 215.199 2.218 20 0 BEADMM CCc1cc(=O)[n-]c(S[C@H](CC)C(C)=O)n1 ZINC000871666683 589785917 /nfs/dbraw/zinc/78/59/17/589785917.db2.gz OGCIPZIPJLAXSH-SECBINFHSA-N -1 1 240.328 2.204 20 0 BEADMM CCc1ccc(-n2[n-]c(C)c(F)c2=O)cc1 ZINC000871948025 589834206 /nfs/dbraw/zinc/83/42/06/589834206.db2.gz OTPWLOKNZNLJHV-NSHDSACASA-N -1 1 220.247 2.310 20 0 BEADMM CCCc1[n-]n(CC2CC2)c(=O)c1CC ZINC000871942679 589836531 /nfs/dbraw/zinc/83/65/31/589836531.db2.gz MRUNCWLJWAOPKN-SNVBAGLBSA-N -1 1 208.305 2.421 20 0 BEADMM CCc1[n-]n(-c2ccc(Cl)cn2)c(=O)c1F ZINC000871946429 589838802 /nfs/dbraw/zinc/83/88/02/589838802.db2.gz CKBIAVUNAIOYFC-VIFPVBQESA-N -1 1 241.653 2.186 20 0 BEADMM Cc1[n-]n(-c2ccnc(Cl)c2)c(=O)c1C1CC1 ZINC000871953550 589841086 /nfs/dbraw/zinc/84/10/86/589841086.db2.gz UOUYKDFXBVCQQI-NSHDSACASA-N -1 1 249.701 2.484 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3cccnc3Cl)c(=O)c21 ZINC000871952572 589841633 /nfs/dbraw/zinc/84/16/33/589841633.db2.gz HEGHROVEOPPKOT-OIBJUYFYSA-N -1 1 249.701 2.484 20 0 BEADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953711 589842468 /nfs/dbraw/zinc/84/24/68/589842468.db2.gz ASLRGOKAERDAEI-RDDDGLTNSA-N -1 1 249.701 2.484 20 0 BEADMM Cc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1C ZINC000871962623 589846838 /nfs/dbraw/zinc/84/68/38/589846838.db2.gz GPRNZQWRFROFJQ-CBAPKCEASA-N -1 1 230.258 2.276 20 0 BEADMM Cc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1C ZINC000871962624 589847430 /nfs/dbraw/zinc/84/74/30/589847430.db2.gz GPRNZQWRFROFJQ-IONNQARKSA-N -1 1 230.258 2.276 20 0 BEADMM CS[C@@H](C)CC(=O)[N-]Oc1ccccc1F ZINC000874911618 590154943 /nfs/dbraw/zinc/15/49/43/590154943.db2.gz NLCXLCDIQKWWBE-QMMMGPOBSA-N -1 1 243.303 2.377 20 0 BEADMM O=C([N-]Oc1ccccc1F)C1CC2(CC2)C1 ZINC000874911537 590155036 /nfs/dbraw/zinc/15/50/36/590155036.db2.gz VOKKQDFZLXIXMJ-UHFFFAOYSA-N -1 1 235.258 2.426 20 0 BEADMM O=C([N-]Oc1ccccc1F)C1CCCC1 ZINC000874912789 590155206 /nfs/dbraw/zinc/15/52/06/590155206.db2.gz SJEXKKLQJOTGRS-UHFFFAOYSA-N -1 1 223.247 2.426 20 0 BEADMM COCc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874927358 590155471 /nfs/dbraw/zinc/15/54/71/590155471.db2.gz GZWZCLQIIQMDGI-UXBLZVDNSA-N -1 1 249.291 2.157 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cccc3c2CCC3)S1 ZINC000874930251 590156057 /nfs/dbraw/zinc/15/60/57/590156057.db2.gz ZAVBOXPTBWZYDJ-YRNVUSSQSA-N -1 1 245.303 2.499 20 0 BEADMM CC/C=C(/C)C(=O)Nc1ccncc1[O-] ZINC000135403464 592012891 /nfs/dbraw/zinc/01/28/91/592012891.db2.gz FJRXPNJLDCRPNT-YWEYNIOJSA-N -1 1 206.245 2.082 20 0 BEADMM COCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674751 592091559 /nfs/dbraw/zinc/09/15/59/592091559.db2.gz UGEWXQQUFKGBHC-UHFFFAOYSA-N -1 1 247.653 2.160 20 0 BEADMM CCc1c(C)[n-]n(C2CCSCC2)c1=O ZINC000887292688 592477392 /nfs/dbraw/zinc/47/73/92/592477392.db2.gz AODHJLZRSFEWEJ-SNVBAGLBSA-N -1 1 226.345 2.126 20 0 BEADMM CCCCC1([N-]C(=O)C(F)(F)F)CC1 ZINC000889531897 592618947 /nfs/dbraw/zinc/61/89/47/592618947.db2.gz ZOFGTGUDDJMRNK-UHFFFAOYSA-N -1 1 209.211 2.388 20 0 BEADMM C[C@H](C(=O)[O-])N(C)Cc1cc(F)c(F)cc1F ZINC000235161016 598131789 /nfs/dbraw/zinc/13/17/89/598131789.db2.gz PTZKYZHLVXDAAD-ZCFIWIBFSA-N -1 1 247.216 2.009 20 0 BEADMM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])C(C)C)o1 ZINC000043429766 598197640 /nfs/dbraw/zinc/19/76/40/598197640.db2.gz WMMVNDUZZWXYHF-MWLCHTKSSA-N -1 1 225.288 2.348 20 0 BEADMM CCCC[C@H](Sc1nnc(CC)[nH]1)C(=O)[O-] ZINC000713460980 599709310 /nfs/dbraw/zinc/70/93/10/599709310.db2.gz OCKWPKYTWDWRGW-ZETCQYMHSA-N -1 1 243.332 2.103 20 0 BEADMM CCCC[C@H](Sc1nc(CC)n[nH]1)C(=O)[O-] ZINC000713460980 599709311 /nfs/dbraw/zinc/70/93/11/599709311.db2.gz OCKWPKYTWDWRGW-ZETCQYMHSA-N -1 1 243.332 2.103 20 0 BEADMM CCN(C/C=C(/C)C(=O)[O-])Cc1ccoc1 ZINC000688585089 601161858 /nfs/dbraw/zinc/16/18/58/601161858.db2.gz CDJJKQWHZWKUNC-WMZJFQQLSA-N -1 1 223.272 2.132 20 0 BEADMM Cc1cc(CN2C[C@@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000706889891 601339249 /nfs/dbraw/zinc/33/92/49/601339249.db2.gz WMRXWDCVBCUXCY-GXSJLCMTSA-N -1 1 235.283 2.271 20 0 BEADMM C[C@H](NC(=O)[O-])C1CCN(C/C=C/Cl)CC1 ZINC000739028925 602463489 /nfs/dbraw/zinc/46/34/89/602463489.db2.gz SNDTXYPPTWACCQ-MAHOQKISSA-N -1 1 246.738 2.107 20 0 BEADMM O=C([O-])c1occc1CNCc1ccsc1 ZINC000236476122 604779087 /nfs/dbraw/zinc/77/90/87/604779087.db2.gz MNYCQSIDITZQFF-UHFFFAOYSA-N -1 1 237.280 2.329 20 0 BEADMM CCCCC[C@H](CC)[NH2+]CCP(=O)([O-])[O-] ZINC001258431695 991367675 /nfs/dbraw/zinc/36/76/75/991367675.db2.gz IHENQRPSGOMKOA-JTQLQIEISA-N -1 1 237.280 2.113 20 0 BEADMM Cc1cc(CN(CC(=O)[O-])C(C)C)cs1 ZINC000309060497 631834701 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ZINC001227051056 963444863 /nfs/dbraw/zinc/44/48/63/963444863.db2.gz GEOIISUVYNGDDB-JTQLQIEISA-N -1 1 246.266 2.029 20 0 BEADMM CC(C)(O)C=CNc1cc([O-])c(F)c(F)c1 ZINC001203220995 963542472 /nfs/dbraw/zinc/54/24/72/963542472.db2.gz RFNHHDAZFQOWKJ-ONEGZZNKSA-N -1 1 229.226 2.367 20 0 BEADMM Cc1cnc(NCc2cc(=O)[n-]o2)cc1C ZINC001158565219 963888582 /nfs/dbraw/zinc/88/85/82/963888582.db2.gz WNAOFPXZCQVJMS-UHFFFAOYSA-N -1 1 219.244 2.004 20 0 BEADMM C[C@H](OCC[P@](=O)([O-])O)c1cccc(F)c1 ZINC001224606078 964797877 /nfs/dbraw/zinc/79/78/77/964797877.db2.gz LUTBHGOFJVUKLP-QMMMGPOBSA-N -1 1 248.190 2.081 20 0 BEADMM CC[C@H]1CCCC[C@H]1OCC[P@](=O)([O-])O ZINC001224608042 964803789 /nfs/dbraw/zinc/80/37/89/964803789.db2.gz YEICMYJMIMFTDH-VHSXEESVSA-N -1 1 236.248 2.150 20 0 BEADMM [O-]c1cnc(Cl)cc1CN1CCC(F)(F)C1 ZINC001233033709 965457041 /nfs/dbraw/zinc/45/70/41/965457041.db2.gz UZLSLACXSFJHFD-UHFFFAOYSA-N -1 1 248.660 2.282 20 0 BEADMM Fc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239554849 966990247 /nfs/dbraw/zinc/99/02/47/966990247.db2.gz KCIFMZFIKOXARD-UHFFFAOYSA-N -1 1 241.229 2.068 20 0 BEADMM Fc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239554849 966990254 /nfs/dbraw/zinc/99/02/54/966990254.db2.gz KCIFMZFIKOXARD-UHFFFAOYSA-N -1 1 241.229 2.068 20 0 BEADMM Nc1ncccc1Nc1ccnc(Cl)c1[O-] ZINC001212395647 967025209 /nfs/dbraw/zinc/02/52/09/967025209.db2.gz WZKJWWWKDGZIJY-UHFFFAOYSA-N -1 1 236.662 2.161 20 0 BEADMM N#CN=c1[n-]oc2ccc(Br)cc21 ZINC001168631600 967145697 /nfs/dbraw/zinc/14/56/97/967145697.db2.gz ZHTGMKLOKNVUER-UHFFFAOYSA-N -1 1 238.044 2.483 20 0 BEADMM Cn1nccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959192 967199252 /nfs/dbraw/zinc/19/92/52/967199252.db2.gz XKUORRNVUPJKLV-UHFFFAOYSA-N -1 1 243.188 2.287 20 0 BEADMM Cn1ccc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249957547 967199402 /nfs/dbraw/zinc/19/94/02/967199402.db2.gz CDRGDTHHIATUHU-UHFFFAOYSA-N -1 1 243.188 2.287 20 0 BEADMM OCc1ccc(F)c([N-]c2cnns2)c1F ZINC001250251689 967561032 /nfs/dbraw/zinc/56/10/32/967561032.db2.gz FCNTZTAOSJYJLG-UHFFFAOYSA-N -1 1 243.238 2.052 20 0 BEADMM C#CCN(CCCCCCCC)CC(=O)[O-] ZINC000118618163 967613104 /nfs/dbraw/zinc/61/31/04/967613104.db2.gz UYZNGADTCLMORY-UHFFFAOYSA-N -1 1 225.332 2.367 20 0 BEADMM O=C([O-])CN(C/C(Cl)=C\Cl)CC1CC1 ZINC000211333454 967685637 /nfs/dbraw/zinc/68/56/37/967685637.db2.gz VXZKDFJBTIOOON-FPYGCLRLSA-N -1 1 238.114 2.102 20 0 BEADMM [O-]c1ccc(Cc2ncccn2)c(F)c1F ZINC001250342899 967733665 /nfs/dbraw/zinc/73/36/65/967733665.db2.gz QIRPUEZLQLSQMA-UHFFFAOYSA-N -1 1 222.194 2.051 20 0 BEADMM [O-]c1c(Cl)cccc1Cc1ncccn1 ZINC001250342876 967736160 /nfs/dbraw/zinc/73/61/60/967736160.db2.gz PSAJLWVBRMEIOO-UHFFFAOYSA-N -1 1 220.659 2.426 20 0 BEADMM [O-]c1cccc(Cc2cnccn2)c1Cl ZINC001250372749 967786418 /nfs/dbraw/zinc/78/64/18/967786418.db2.gz BCNCADPYPVYYNB-UHFFFAOYSA-N -1 1 220.659 2.426 20 0 BEADMM Cc1ccnc(F)c1[N-]c1cnns1 ZINC001212555557 967870578 /nfs/dbraw/zinc/87/05/78/967870578.db2.gz FFLYOCOOZKOHSW-UHFFFAOYSA-N -1 1 210.237 2.124 20 0 BEADMM [O-]c1ccc(-c2ccnc3ccnn32)c(F)c1F ZINC001250481263 967926042 /nfs/dbraw/zinc/92/60/42/967926042.db2.gz IXXVWDASDYVEPR-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM [O-]c1ccc(-c2ncc3c(n2)COC3)c(F)c1 ZINC001206045028 968009048 /nfs/dbraw/zinc/00/90/48/968009048.db2.gz WUKVBQWYLSRRCE-UHFFFAOYSA-N -1 1 232.214 2.019 20 0 BEADMM Cc1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001250518146 968016144 /nfs/dbraw/zinc/01/61/44/968016144.db2.gz QHJRYUSWHMDPQZ-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM NC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001250612839 968158387 /nfs/dbraw/zinc/15/83/87/968158387.db2.gz VCZOWWAGNYOVOC-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM CCC[C@H](O)CNc1cc([O-])c(F)c(F)c1 ZINC001252792581 968971858 /nfs/dbraw/zinc/97/18/58/968971858.db2.gz IUUAYYYXXMBGDC-QMMMGPOBSA-N -1 1 231.242 2.243 20 0 BEADMM O[C@H](CNC1=CC=C[CH]1)c1ccc(F)cc1 ZINC001252864321 969037699 /nfs/dbraw/zinc/03/76/99/969037699.db2.gz CFISFTYFBFBHSZ-CYBMUJFWSA-N -1 1 218.251 2.107 20 0 BEADMM [O-]c1cc(F)ccc1-c1cccc2ncnn21 ZINC001242218118 969299726 /nfs/dbraw/zinc/29/97/26/969299726.db2.gz SXEMNCRHWQQRCP-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM [O-]c1ccc(-c2nnc(C3CC3)o2)cc1F ZINC001254115310 969506975 /nfs/dbraw/zinc/50/69/75/969506975.db2.gz ZFKMIYDQUAXZJH-UHFFFAOYSA-N -1 1 220.203 2.459 20 0 BEADMM Cc1ncn(C)c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209888000 969683107 /nfs/dbraw/zinc/68/31/07/969683107.db2.gz LTCWEIOYDMULDU-UHFFFAOYSA-N -1 1 249.245 2.309 20 0 BEADMM Cc1cc(Nc2cc(=O)[n-]c(N(C)C)n2)c(C)o1 ZINC001210280872 969849171 /nfs/dbraw/zinc/84/91/71/969849171.db2.gz WJEQFWIBKMCPQU-UHFFFAOYSA-N -1 1 248.286 2.202 20 0 BEADMM Cc1ncc([N-]c2nnc(C(C)C)o2)cc1N ZINC001210285283 969852319 /nfs/dbraw/zinc/85/23/19/969852319.db2.gz NAPUVLZYPPSQOC-UHFFFAOYSA-N -1 1 233.275 2.222 20 0 BEADMM COc1c(F)cccc1[N-]c1nnc(C)o1 ZINC001210398374 969884379 /nfs/dbraw/zinc/88/43/79/969884379.db2.gz BTMLULUPJRXGOB-UHFFFAOYSA-N -1 1 223.207 2.269 20 0 BEADMM Nc1cncc(Nc2ccnc(Cl)c2[O-])c1 ZINC001210437270 969888260 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BEADMM COc1cccc2c1C[C@H](NC1=CC=C[CH]1)CO2 ZINC001173164965 975042251 /nfs/dbraw/zinc/04/22/51/975042251.db2.gz QYXLNZKBHHUSDN-LBPRGKRZSA-N -1 1 242.298 2.246 20 0 BEADMM COc1c[n-]c(=O)nc1O[C@@H]1CCC[C@@H](C)C1 ZINC001226823255 975098642 /nfs/dbraw/zinc/09/86/42/975098642.db2.gz SXIMLYPUPVMHKJ-RKDXNWHRSA-N -1 1 238.287 2.148 20 0 BEADMM COc1c[n-]c(=O)nc1O[C@H](C)C1CCCC1 ZINC001226828386 975105965 /nfs/dbraw/zinc/10/59/65/975105965.db2.gz PQGQWJKPDJSRFC-MRVPVSSYSA-N -1 1 238.287 2.148 20 0 BEADMM O=c1[n-]cncc1O[C@H]1CCc2ccccc21 ZINC001227045882 975232014 /nfs/dbraw/zinc/23/20/14/975232014.db2.gz UMQAMLFHNXMILL-NSHDSACASA-N -1 1 228.251 2.249 20 0 BEADMM C[C@@H]1CCC[C@@H](Oc2cnc[n-]c2=O)C1 ZINC001227048966 975235877 /nfs/dbraw/zinc/23/58/77/975235877.db2.gz OCUWXYTUTSLFMR-RKDXNWHRSA-N -1 1 208.261 2.140 20 0 BEADMM CC1CCC(Oc2cnc[n-]c2=O)CC1 ZINC001227048552 975236031 /nfs/dbraw/zinc/23/60/31/975236031.db2.gz GKTIMZACTOFTPA-UHFFFAOYSA-N -1 1 208.261 2.140 20 0 BEADMM O=c1[n-]cncc1O[C@H]1CCc2ccccc2C1 ZINC001227049245 975237123 /nfs/dbraw/zinc/23/71/23/975237123.db2.gz SUUKPIRGCQPPGG-LBPRGKRZSA-N -1 1 242.278 2.119 20 0 BEADMM C[C@@H]1CCC[C@@H](Oc2cnc[n-]c2=O)[C@H]1C ZINC001227050974 975239282 /nfs/dbraw/zinc/23/92/82/975239282.db2.gz FCMIRSSIPARNKR-KXUCPTDWSA-N -1 1 222.288 2.386 20 0 BEADMM CCCCC[C@H](CC)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227568441 975553698 /nfs/dbraw/zinc/55/36/98/975553698.db2.gz MVGJRIFMTYGLJO-QMMMGPOBSA-N -1 1 241.291 2.021 20 0 BEADMM CCCCCC[C@H](C)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227568288 975554193 /nfs/dbraw/zinc/55/41/93/975554193.db2.gz MAFZMWRWRVXPBZ-QMMMGPOBSA-N -1 1 241.291 2.021 20 0 BEADMM CCC(=O)c1c(O)cc([O-])cc1OC(C)C ZINC001228557747 976324920 /nfs/dbraw/zinc/32/49/20/976324920.db2.gz BHZPMJJSHCSQPE-UHFFFAOYSA-N -1 1 224.256 2.478 20 0 BEADMM C[C@H]1CCC[C@H](C)C1Oc1cnnc(=S)[n-]1 ZINC001228641486 976400067 /nfs/dbraw/zinc/40/00/67/976400067.db2.gz FLKVGECRIYIAHS-YUMQZZPRSA-N -1 1 239.344 2.364 20 0 BEADMM CC(C)CC[C@@H](C)Oc1cnnc(=S)[n-]1 ZINC001228642168 976405898 /nfs/dbraw/zinc/40/58/98/976405898.db2.gz MPRSXCNTRGIEPT-MRVPVSSYSA-N -1 1 227.333 2.364 20 0 BEADMM Cc1nsc([N-]c2cncc(F)c2)n1 ZINC001174289558 976454600 /nfs/dbraw/zinc/45/46/00/976454600.db2.gz ZKHYXVGFDHFWKL-UHFFFAOYSA-N -1 1 210.237 2.124 20 0 BEADMM Cc1nn(C)cc1Nc1c([O-])cc(F)cc1F ZINC001174334935 976551665 /nfs/dbraw/zinc/55/16/65/976551665.db2.gz UMMPGFLWXVYQAZ-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM CC(C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229128777 976769287 /nfs/dbraw/zinc/76/92/87/976769287.db2.gz DADZXXVWQDQPTK-UHFFFAOYSA-N -1 1 220.224 2.286 20 0 BEADMM COc1nonc1[N-]c1cccc2ncccc12 ZINC001174904002 977157248 /nfs/dbraw/zinc/15/72/48/977157248.db2.gz MXPGQZALRIMHPB-UHFFFAOYSA-N -1 1 242.238 2.370 20 0 BEADMM CCOc1cc([N-]c2nnco2)ccc1F ZINC001175047423 977241701 /nfs/dbraw/zinc/24/17/01/977241701.db2.gz GFRLEDBHZLAKCC-UHFFFAOYSA-N -1 1 223.207 2.351 20 0 BEADMM CSc1ncc([N-]c2nc(C)ns2)cn1 ZINC001175644521 977614379 /nfs/dbraw/zinc/61/43/79/977614379.db2.gz RVUYFTZQMTWZEN-UHFFFAOYSA-N -1 1 239.329 2.102 20 0 BEADMM CC(C)(C)[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001336356276 977643552 /nfs/dbraw/zinc/64/35/52/977643552.db2.gz OGTAGKNADIXEKJ-SNVBAGLBSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1nsc([N-]c2cnn(C3CC3)c2)n1 ZINC001175958697 977825198 /nfs/dbraw/zinc/82/51/98/977825198.db2.gz OHUBWFHXMASZQQ-UHFFFAOYSA-N -1 1 221.289 2.122 20 0 BEADMM COc1cc([N-]c2nonc2C)c(F)cc1F ZINC001176107623 977940337 /nfs/dbraw/zinc/94/03/37/977940337.db2.gz QIYRHVPGWRCFFY-UHFFFAOYSA-N -1 1 241.197 2.408 20 0 BEADMM COc1ccncc1[N-]c1nnc(C(C)C)o1 ZINC001176118147 977944042 /nfs/dbraw/zinc/94/40/42/977944042.db2.gz BUJJPVCBJLALHI-UHFFFAOYSA-N -1 1 234.259 2.340 20 0 BEADMM O=C([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC001595243320 978008812 /nfs/dbraw/zinc/00/88/12/978008812.db2.gz OMPVWFSFFJBYNK-RYUDHWBXSA-N -1 1 249.335 2.075 20 0 BEADMM Cc1ncc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001176392995 978044115 /nfs/dbraw/zinc/04/41/15/978044115.db2.gz DOOHOAYJVDIPEW-UHFFFAOYSA-N -1 1 236.662 2.283 20 0 BEADMM OCc1cc([N-]c2nonc2C2CC2)cs1 ZINC001176369892 978056928 /nfs/dbraw/zinc/05/69/28/978056928.db2.gz HHTFXJMTHSZUGZ-UHFFFAOYSA-N -1 1 237.284 2.244 20 0 BEADMM Nc1nonc1[N-]c1ccc(Cl)cc1 ZINC001176726124 978163947 /nfs/dbraw/zinc/16/39/47/978163947.db2.gz QZKQGPWEGCAOCE-UHFFFAOYSA-N -1 1 210.624 2.049 20 0 BEADMM O=C(NC1CCC=CCC1)c1ccc([O-])cn1 ZINC001596460323 978219158 /nfs/dbraw/zinc/21/91/58/978219158.db2.gz KNUBAWBHMHQSTQ-UHFFFAOYSA-N -1 1 232.283 2.016 20 0 BEADMM CC[C@@H](F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001337340412 978292416 /nfs/dbraw/zinc/29/24/16/978292416.db2.gz ICJBGELQUCWISR-SECBINFHSA-N -1 1 245.681 2.410 20 0 BEADMM C[C@@H]1CCN1Cc1cc(Cl)ncc1[O-] ZINC001233033052 978417179 /nfs/dbraw/zinc/41/71/79/978417179.db2.gz YMORAZUUFPXIFM-SSDOTTSWSA-N -1 1 212.680 2.035 20 0 BEADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H](F)C1 ZINC001233035204 978417704 /nfs/dbraw/zinc/41/77/04/978417704.db2.gz ZPMDTEQUJJTMCI-VIFPVBQESA-N -1 1 244.697 2.375 20 0 BEADMM Cc1ccoc1CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC001600608349 978707196 /nfs/dbraw/zinc/70/71/96/978707196.db2.gz WKLQWUNBKZXDDD-JTQLQIEISA-N -1 1 237.299 2.416 20 0 BEADMM Cc1ccc(CNC[C@H](F)C(=O)[O-])cc1Cl ZINC001339254177 978827270 /nfs/dbraw/zinc/82/72/70/978827270.db2.gz JTIVLYKHTFHHJI-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM O=C([O-])c1cc(CNC/C=C/Cl)cs1 ZINC001602257935 979097916 /nfs/dbraw/zinc/09/79/16/979097916.db2.gz KKSZFOFTFSXHJP-OWOJBTEDSA-N -1 1 231.704 2.288 20 0 BEADMM O=C([O-])c1coc(CN[C@@H]2CCCC[C@@H]2F)c1 ZINC001602557022 979128697 /nfs/dbraw/zinc/12/86/97/979128697.db2.gz HNRXICMKILDENY-WDEREUQCSA-N -1 1 241.262 2.348 20 0 BEADMM O=C([O-])c1occc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC001602589221 979133748 /nfs/dbraw/zinc/13/37/48/979133748.db2.gz KCQUFKKHRHJZGL-RNFRBKRXSA-N -1 1 249.188 2.018 20 0 BEADMM Cc1cnn(-c2cc(Cl)c([O-])cc2F)c1N ZINC001250020107 979293533 /nfs/dbraw/zinc/29/35/33/979293533.db2.gz FBGBNGOBCSRAQQ-UHFFFAOYSA-N -1 1 241.653 2.261 20 0 BEADMM CC(C)c1nc([C@H](C)NCCC(=O)[O-])cs1 ZINC001603106895 979381637 /nfs/dbraw/zinc/38/16/37/979381637.db2.gz FOFNPRPSHPQDHU-QMMMGPOBSA-N -1 1 242.344 2.392 20 0 BEADMM CC(C)=CCCNc1cccc(-c2nnn[n-]2)n1 ZINC001603186391 979397338 /nfs/dbraw/zinc/39/73/38/979397338.db2.gz OPHLWCSAFMXUDA-UHFFFAOYSA-N -1 1 244.302 2.030 20 0 BEADMM CC(C)=CCCNc1cccc(-c2nn[n-]n2)n1 ZINC001603186391 979397356 /nfs/dbraw/zinc/39/73/56/979397356.db2.gz OPHLWCSAFMXUDA-UHFFFAOYSA-N -1 1 244.302 2.030 20 0 BEADMM CC1(C)C(C)(C)C1(C)NC(=O)c1cncc([O-])c1 ZINC001603235463 979410111 /nfs/dbraw/zinc/41/01/11/979410111.db2.gz SNKSBVFCOXBDLN-UHFFFAOYSA-N -1 1 248.326 2.342 20 0 BEADMM CC(C)(C)C(F)(F)CN[C@H](C(=O)[O-])C1CC1 ZINC001603307529 979432032 /nfs/dbraw/zinc/43/20/32/979432032.db2.gz LVAKVEVWHRRMCM-QMMMGPOBSA-N -1 1 235.274 2.121 20 0 BEADMM Cc1ccc(F)c(-c2ccc(F)nn2)c1[O-] ZINC001236390174 979574735 /nfs/dbraw/zinc/57/47/35/979574735.db2.gz DCIVDGNIIOSACD-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM Cc1ccc(F)c(-c2cc(N(C)C)ncn2)c1[O-] ZINC001236388959 979575666 /nfs/dbraw/zinc/57/56/66/979575666.db2.gz BVWCKCOBNPNQMK-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM C[C@H](N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C)C(F)F ZINC001604328568 979618456 /nfs/dbraw/zinc/61/84/56/979618456.db2.gz DMAYSFYUUKQOBO-RYPBNFRJSA-N -1 1 235.274 2.119 20 0 BEADMM O=C(Nc1c[n-][nH]c1=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001183563052 979846454 /nfs/dbraw/zinc/84/64/54/979846454.db2.gz PYVJJIQRLIGXIB-RKDXNWHRSA-N -1 1 249.314 2.270 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC001184130426 979947058 /nfs/dbraw/zinc/94/70/58/979947058.db2.gz AFWFIEIGUHCSEV-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM [O-]c1ccc(-c2nc(-c3ccccc3)no2)nn1 ZINC001205294178 980011270 /nfs/dbraw/zinc/01/12/70/980011270.db2.gz PFIWFCSAAWBXPC-UHFFFAOYSA-N -1 1 240.222 2.460 20 0 BEADMM CCC(F)(F)CN[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC001595225656 980074307 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/nfs/dbraw/zinc/98/96/10/980989610.db2.gz KYRNAWFEWGOZML-ZCFIWIBFSA-N -1 1 233.189 2.357 20 0 BEADMM O=C(Nc1ccc(Cl)cc1[O-])NC1CC1 ZINC001191481254 981040638 /nfs/dbraw/zinc/04/06/38/981040638.db2.gz BINUWXLIOZHCGR-UHFFFAOYSA-N -1 1 226.663 2.330 20 0 BEADMM CC[C@@H]1CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001595463620 981146241 /nfs/dbraw/zinc/14/62/41/981146241.db2.gz AQEGPNSJDSETFG-MRVPVSSYSA-N -1 1 240.328 2.073 20 0 BEADMM CC(C)(C)[C@H]1CCN1C(=O)c1cncc([O-])c1 ZINC001347700638 981149084 /nfs/dbraw/zinc/14/90/84/981149084.db2.gz NYOWQVOLCJXUGN-LLVKDONJSA-N -1 1 234.299 2.048 20 0 BEADMM CC/C=C/NC(=O)c1c(F)ccc([O-])c1F ZINC001192551818 981169058 /nfs/dbraw/zinc/16/90/58/981169058.db2.gz GLLRCJYLBVBILR-ZZXKWVIFSA-N -1 1 227.210 2.324 20 0 BEADMM O=c1nc(N2CC3CCC2CC3)cc(Cl)[n-]1 ZINC001348111252 981284369 /nfs/dbraw/zinc/28/43/69/981284369.db2.gz VZRWLJNIEYDODV-UHFFFAOYSA-N -1 1 239.706 2.214 20 0 BEADMM Cc1cnnc(-c2cc(F)ccc2[O-])c1 ZINC001240693220 981596777 /nfs/dbraw/zinc/59/67/77/981596777.db2.gz HOLFZRWMSYRDNS-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM [O-]c1ccc(F)cc1-c1ccnc(F)n1 ZINC001240693997 981601999 /nfs/dbraw/zinc/60/19/99/981601999.db2.gz LOVUKXDGHVSRHB-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM [O-]c1ccc(F)cc1-c1cc2c(nn1)CCOC2 ZINC001240696325 981608407 /nfs/dbraw/zinc/60/84/07/981608407.db2.gz MUEJAZQVHYOBPJ-UHFFFAOYSA-N -1 1 246.241 2.061 20 0 BEADMM Cn1cnc2c1ccnc2-c1ccc([O-])c(F)c1 ZINC001240782611 981819069 /nfs/dbraw/zinc/81/90/69/981819069.db2.gz BUSARYGMOBGZSZ-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM [O-]c1ccc(-c2cnc3cc[nH]c3n2)cc1F ZINC001240782558 981819682 /nfs/dbraw/zinc/81/96/82/981819682.db2.gz BTARBTMOEYFULQ-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM [O-]c1ccc(-c2ncnc3[nH]ccc32)cc1F ZINC001240783593 981823201 /nfs/dbraw/zinc/82/32/01/981823201.db2.gz QJMJPKBOJPTYPU-UHFFFAOYSA-N -1 1 229.214 2.421 20 0 BEADMM Cc1nnc(-c2ccc([O-])c(F)c2)nc1C ZINC001240786197 981830093 /nfs/dbraw/zinc/83/00/93/981830093.db2.gz PPOCVGAVHFKLRW-UHFFFAOYSA-N -1 1 219.219 2.000 20 0 BEADMM [O-]c1ccc(-c2cncc3nnoc32)cc1F ZINC001240790461 981835882 /nfs/dbraw/zinc/83/58/82/981835882.db2.gz KZEUQEDAMFHINU-UHFFFAOYSA-N -1 1 231.186 2.130 20 0 BEADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cn2)s1 ZINC001240843679 981884326 /nfs/dbraw/zinc/88/43/26/981884326.db2.gz YXSRNWFASWMJJF-UHFFFAOYSA-N -1 1 245.263 2.385 20 0 BEADMM O=C([N-]c1ccon1)c1scnc1C(F)F ZINC001585677441 981940600 /nfs/dbraw/zinc/94/06/00/981940600.db2.gz WXDQFCHKPTZARR-UHFFFAOYSA-N -1 1 245.210 2.321 20 0 BEADMM Cc1cnc(C(=O)N[C@H]2CCCC23CC3)c([O-])c1 ZINC001586840819 982027890 /nfs/dbraw/zinc/02/78/90/982027890.db2.gz CVQLFWLWVDLZBJ-NSHDSACASA-N -1 1 246.310 2.158 20 0 BEADMM C[C@H]1CCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001586832735 982031291 /nfs/dbraw/zinc/03/12/91/982031291.db2.gz TVTHGEZPHVYYRN-QMMMGPOBSA-N -1 1 223.247 2.156 20 0 BEADMM CC(C)CCNC(=O)c1cccc([O-])c1F ZINC001587102356 982048385 /nfs/dbraw/zinc/04/83/85/982048385.db2.gz VQDFNXPFTZSJFU-UHFFFAOYSA-N -1 1 225.263 2.307 20 0 BEADMM Cn1ccc2nc(-c3ccccc3[O-])ncc21 ZINC001241003160 982092494 /nfs/dbraw/zinc/09/24/94/982092494.db2.gz IXANRLIXRMUJNM-UHFFFAOYSA-N -1 1 225.251 2.341 20 0 BEADMM Cc1cc(C=O)c([O-])c(C(=O)NC(C)(C)C)c1 ZINC001588073374 982109491 /nfs/dbraw/zinc/10/94/91/982109491.db2.gz HRKOAHXBRMHSQL-UHFFFAOYSA-N -1 1 235.283 2.041 20 0 BEADMM COc1cnc(-c2ccc(C)cc2[O-])nc1 ZINC001241027974 982124825 /nfs/dbraw/zinc/12/48/25/982124825.db2.gz HCYFYZFTPKFJBM-UHFFFAOYSA-N -1 1 216.240 2.166 20 0 BEADMM Cn1cncc1-c1c(F)cc([O-])cc1F ZINC001241120137 982240872 /nfs/dbraw/zinc/24/08/72/982240872.db2.gz VAVKICFLLSQTAH-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Cn1cnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241118793 982241806 /nfs/dbraw/zinc/24/18/06/982241806.db2.gz GOKMYWQBBCDFCI-UHFFFAOYSA-N -1 1 210.183 2.071 20 0 BEADMM Cn1ccc(-c2c(F)cc([O-])cc2F)cc1=O ZINC001241121693 982249587 /nfs/dbraw/zinc/24/95/87/982249587.db2.gz BRXAUZYXYSAGAY-UHFFFAOYSA-N -1 1 237.205 2.036 20 0 BEADMM [O-]c1cc(F)cc(-c2ncc3c(n2)CCC3)c1 ZINC001241255902 982392167 /nfs/dbraw/zinc/39/21/67/982392167.db2.gz HCSQSJUMTOKBCI-UHFFFAOYSA-N -1 1 230.242 2.477 20 0 BEADMM [O-]c1cc(F)cc(-c2ncc3c(n2)COC3)c1 ZINC001241261926 982398204 /nfs/dbraw/zinc/39/82/04/982398204.db2.gz UHBUNPRPVRBSNQ-UHFFFAOYSA-N -1 1 232.214 2.019 20 0 BEADMM Cc1cc(N(C)C)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241262983 982401265 /nfs/dbraw/zinc/40/12/65/982401265.db2.gz URRVFQUFSGUKOU-UHFFFAOYSA-N -1 1 247.273 2.363 20 0 BEADMM O=C([O-])c1cccc(-c2cccc3[nH]nnc32)c1 ZINC001241359068 982516256 /nfs/dbraw/zinc/51/62/56/982516256.db2.gz SHDWRUZJJWBRQG-UHFFFAOYSA-N -1 1 239.234 2.323 20 0 BEADMM C=CS(=O)(=O)[N-]c1nccc2ccccc21 ZINC001198556462 982781594 /nfs/dbraw/zinc/78/15/94/982781594.db2.gz SHGPTKSGVQUXRG-UHFFFAOYSA-N -1 1 234.280 2.120 20 0 BEADMM CC[C@H](C)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001590411394 982942205 /nfs/dbraw/zinc/94/22/05/982942205.db2.gz XBQHNVGUVHCHTF-VIFPVBQESA-N -1 1 246.318 2.110 20 0 BEADMM CC[C@H](C)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001590411394 982942215 /nfs/dbraw/zinc/94/22/15/982942215.db2.gz XBQHNVGUVHCHTF-VIFPVBQESA-N -1 1 246.318 2.110 20 0 BEADMM CCC[C@H](C)CCCn1ccnc1-c1nnn[n-]1 ZINC001590550396 982955636 /nfs/dbraw/zinc/95/56/36/982955636.db2.gz UVHRHVLKSQLPGX-JTQLQIEISA-N -1 1 248.334 2.280 20 0 BEADMM CCC[C@H](C)CCCn1ccnc1-c1nn[n-]n1 ZINC001590550396 982955644 /nfs/dbraw/zinc/95/56/44/982955644.db2.gz UVHRHVLKSQLPGX-JTQLQIEISA-N -1 1 248.334 2.280 20 0 BEADMM O=C([O-])c1cncc(-c2cccn3cncc23)c1 ZINC001241802559 983056866 /nfs/dbraw/zinc/05/68/66/983056866.db2.gz KVQPYVJRBNQKGS-UHFFFAOYSA-N -1 1 239.234 2.095 20 0 BEADMM Cc1nnc([N-]c2ccc(C3CC3)nc2)o1 ZINC001201698970 983411747 /nfs/dbraw/zinc/41/17/47/983411747.db2.gz GNUIMOMEDCJEDM-UHFFFAOYSA-N -1 1 216.244 2.394 20 0 BEADMM Nc1cncc(F)c1-c1ccc(F)cc1[O-] ZINC001242217975 983414386 /nfs/dbraw/zinc/41/43/86/983414386.db2.gz PQFAWSODDNBGNW-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM COc1nonc1[N-]c1ccc(C2CC2)nc1 ZINC001201703249 983417284 /nfs/dbraw/zinc/41/72/84/983417284.db2.gz YGYLOHJQMKJKCP-UHFFFAOYSA-N -1 1 232.243 2.094 20 0 BEADMM Cc1ncc(-c2ccc(F)cc2[O-])cn1 ZINC001242218170 983417922 /nfs/dbraw/zinc/41/79/22/983417922.db2.gz WJZHZAFLSKOZAG-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM CCOc1ncc(-c2ccc(F)cc2[O-])cn1 ZINC001242218115 983419694 /nfs/dbraw/zinc/41/96/94/983419694.db2.gz SUCLCHBKORGWOZ-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM [O-]c1cc(F)ccc1-c1cncc2nccn21 ZINC001242220620 983422258 /nfs/dbraw/zinc/42/22/58/983422258.db2.gz HUCFGHROGQEPSY-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM Cc1cc(-c2ccc(F)cc2[O-])c(=O)n(C)c1 ZINC001242219983 983422467 /nfs/dbraw/zinc/42/24/67/983422467.db2.gz YLLSNYUGWVUBRC-UHFFFAOYSA-N -1 1 233.242 2.205 20 0 BEADMM CC(C)n1nccc(-c2ccc(F)cc2[O-])c1=O ZINC001242219769 983424779 /nfs/dbraw/zinc/42/47/79/983424779.db2.gz PUTLZEFKTZCXBQ-UHFFFAOYSA-N -1 1 248.257 2.336 20 0 BEADMM [O-]c1c(F)cccc1-c1nccc2[nH]cnc21 ZINC001242347833 983608182 /nfs/dbraw/zinc/60/81/82/983608182.db2.gz CIVHIQIWSRQHJI-UHFFFAOYSA-N -1 1 229.214 2.470 20 0 BEADMM [O-]c1c(F)cccc1-c1cccn2ncnc12 ZINC001242350282 983615774 /nfs/dbraw/zinc/61/57/74/983615774.db2.gz ASKWFDWGBYIALL-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CCn1cccc(-c2cccc(F)c2[O-])c1=O ZINC001242350800 983619137 /nfs/dbraw/zinc/61/91/37/983619137.db2.gz LSRJVWGNRDTNMN-UHFFFAOYSA-N -1 1 233.242 2.380 20 0 BEADMM Cc1ncncc1-c1cccc(F)c1[O-] ZINC001242351359 983621434 /nfs/dbraw/zinc/62/14/34/983621434.db2.gz HTLQWYLMBXLXET-UHFFFAOYSA-N -1 1 204.204 2.297 20 0 BEADMM [O-]c1c(F)cccc1-c1cccc2ncnn21 ZINC001242351013 983623850 /nfs/dbraw/zinc/62/38/50/983623850.db2.gz BSTHCPVGSSGMLD-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM CCOc1ncc(-c2cccc(F)c2[O-])cn1 ZINC001242351420 983625176 /nfs/dbraw/zinc/62/51/76/983625176.db2.gz JYSONFLGCYQIOX-UHFFFAOYSA-N -1 1 234.230 2.387 20 0 BEADMM NC(=O)c1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242352356 983625938 /nfs/dbraw/zinc/62/59/38/983625938.db2.gz TZZPIZOPHSJHLP-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM Nc1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366582 983656303 /nfs/dbraw/zinc/65/63/03/983656303.db2.gz QKCWLVBCBDVQSJ-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM NC(=O)c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366580 983658492 /nfs/dbraw/zinc/65/84/92/983658492.db2.gz QIHIXOIZYQIIKH-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)c(C)o1 ZINC001242406302 983701244 /nfs/dbraw/zinc/70/12/44/983701244.db2.gz GNLOTQJEGRIOEN-UHFFFAOYSA-N -1 1 241.254 2.139 20 0 BEADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)c(C)o1 ZINC001242406302 983701251 /nfs/dbraw/zinc/70/12/51/983701251.db2.gz GNLOTQJEGRIOEN-UHFFFAOYSA-N -1 1 241.254 2.139 20 0 BEADMM Nc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242801646 984176104 /nfs/dbraw/zinc/17/61/04/984176104.db2.gz VBXXOEMTFSIIGB-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM CC1(C)CC[C@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001545853778 984225174 /nfs/dbraw/zinc/22/51/74/984225174.db2.gz SWICZGFATOSMFN-VIFPVBQESA-N -1 1 234.299 2.096 20 0 BEADMM Cc1coc(CN[C@H](CC(C)C)C(=O)[O-])c1 ZINC000718050173 984382923 /nfs/dbraw/zinc/38/29/23/984382923.db2.gz AJLGCGFTUUTKKX-LLVKDONJSA-N -1 1 225.288 2.177 20 0 BEADMM CC(C)(F)c1cc([N-]C(=O)c2cocn2)no1 ZINC001440293081 984399068 /nfs/dbraw/zinc/39/90/68/984399068.db2.gz MSXHDYBSQJOJKV-UHFFFAOYSA-N -1 1 239.206 2.120 20 0 BEADMM Cc1ncc(F)c(-c2ccc(F)c([O-])c2)n1 ZINC001243050392 984403846 /nfs/dbraw/zinc/40/38/46/984403846.db2.gz ZJGKHKGJZILQEE-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cn2)[C@H]1C ZINC001440412171 984407117 /nfs/dbraw/zinc/40/71/17/984407117.db2.gz NLLZLEFNNUYIQW-SCVCMEIPSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)[C@H]1C ZINC001440412031 984409255 /nfs/dbraw/zinc/40/92/55/984409255.db2.gz NLLZLEFNNUYIQW-JFGNBEQYSA-N -1 1 248.326 2.342 20 0 BEADMM CCCN(CC)C(=O)c1ccc(F)c([O-])c1 ZINC001440800188 984436672 /nfs/dbraw/zinc/43/66/72/984436672.db2.gz XARRTFSBWBQCBP-UHFFFAOYSA-N -1 1 225.263 2.403 20 0 BEADMM CN(CCC1CC1)C(=O)c1ccc(F)c([O-])c1 ZINC001446380703 984660085 /nfs/dbraw/zinc/66/00/85/984660085.db2.gz VBKKKSLNDWFBEY-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM [O-]c1ccc(-c2cnc3n[nH]nc3c2)c(F)c1F ZINC001243343104 984833533 /nfs/dbraw/zinc/83/35/33/984833533.db2.gz WFVJYNJLNIMIEH-UHFFFAOYSA-N -1 1 248.192 2.004 20 0 BEADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([O-])c1F ZINC001451807444 984912823 /nfs/dbraw/zinc/91/28/23/984912823.db2.gz WMXQCFVWWOGWIR-AYMMMOKOSA-N -1 1 235.258 2.060 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1cccn2cnnc12 ZINC001243504062 985057493 /nfs/dbraw/zinc/05/74/93/985057493.db2.gz IZXKYCJQMHUIGQ-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM O=c1occcc1-c1cc(F)cc(F)c1[O-] ZINC001243506370 985061942 /nfs/dbraw/zinc/06/19/42/985061942.db2.gz UJVHZPJVMTZQQL-UHFFFAOYSA-N -1 1 224.162 2.291 20 0 BEADMM [O-]c1c(F)cc(F)cc1-c1ccnnc1 ZINC001243503822 985062768 /nfs/dbraw/zinc/06/27/68/985062768.db2.gz HQBVCMVMLMAGQF-UHFFFAOYSA-N -1 1 208.167 2.127 20 0 BEADMM C[C@@H]1CN(C(=O)c2ccc([O-])cn2)C(C)(C)C1 ZINC001455237035 985063445 /nfs/dbraw/zinc/06/34/45/985063445.db2.gz LXTPZNQYRLIMOW-VIFPVBQESA-N -1 1 234.299 2.048 20 0 BEADMM NC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243578778 985132666 /nfs/dbraw/zinc/13/26/66/985132666.db2.gz QTVXZFBYUYRNRZ-UHFFFAOYSA-N -1 1 248.669 2.207 20 0 BEADMM Nc1nccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243578651 985136767 /nfs/dbraw/zinc/13/67/67/985136767.db2.gz HEGUSNGBFOZJGT-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM Nc1cnc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243580355 985139734 /nfs/dbraw/zinc/13/97/34/985139734.db2.gz AVMOWOONKXPURK-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM Cc1cnc(C(=O)N[C@H](C)C2(C)CC2)c([O-])c1 ZINC001456715974 985158804 /nfs/dbraw/zinc/15/88/04/985158804.db2.gz ZXSQIJHFIFIHGQ-SECBINFHSA-N -1 1 234.299 2.014 20 0 BEADMM Cc1cnc(C(=O)N[C@@H](C)C2(C)CC2)c([O-])c1 ZINC001456715975 985161926 /nfs/dbraw/zinc/16/19/26/985161926.db2.gz ZXSQIJHFIFIHGQ-VIFPVBQESA-N -1 1 234.299 2.014 20 0 BEADMM O=C(NC/C=C\Cl)c1ccc([O-])c(F)c1 ZINC001456879722 985170510 /nfs/dbraw/zinc/17/05/10/985170510.db2.gz HDCGXGUXZMKVAW-RJRFIUFISA-N -1 1 229.638 2.014 20 0 BEADMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)c1ccccc1 ZINC001457823957 985237708 /nfs/dbraw/zinc/23/77/08/985237708.db2.gz RHQDTCBSXXJXLB-UHFFFAOYSA-N -1 1 245.282 2.032 20 0 BEADMM CC[C@H]1CC[C@H](C(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001457821137 985238699 /nfs/dbraw/zinc/23/86/99/985238699.db2.gz ICGFOUCBDIUBKW-KYZUINATSA-N -1 1 237.303 2.270 20 0 BEADMM Cc1cnc(SCc2cccnc2)[n-]c1=O ZINC001459092186 985383315 /nfs/dbraw/zinc/38/33/15/985383315.db2.gz KIDZJVNFJBUPOF-UHFFFAOYSA-N -1 1 233.296 2.178 20 0 BEADMM C[C@@H](c1nc(C(=O)[O-])co1)N1C[C@H](C)[C@H](C)C1 ZINC001594499606 985667909 /nfs/dbraw/zinc/66/79/09/985667909.db2.gz OGFVYQLZGSLPFI-YIZRAAEISA-N -1 1 238.287 2.022 20 0 BEADMM Nc1ccc(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244094573 985808012 /nfs/dbraw/zinc/80/80/12/985808012.db2.gz UZCVETOSLSARCO-UHFFFAOYSA-N -1 1 222.194 2.315 20 0 BEADMM COc1cnc(-c2cc(C)ccc2[O-])nc1 ZINC001244401497 986060753 /nfs/dbraw/zinc/06/07/53/986060753.db2.gz DWIZKVDEHGJZLK-UHFFFAOYSA-N -1 1 216.240 2.166 20 0 BEADMM Nc1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244540049 986237417 /nfs/dbraw/zinc/23/74/17/986237417.db2.gz GDNHZEUIWCQMJD-UHFFFAOYSA-N -1 1 239.637 2.224 20 0 BEADMM CCCNC(=S)Nc1ncc(Cl)cc1[O-] ZINC001244845462 986392461 /nfs/dbraw/zinc/39/24/61/986392461.db2.gz SSYPWIAXAQHEOM-UHFFFAOYSA-N -1 1 245.735 2.137 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)c(F)c1 ZINC001463753266 986578550 /nfs/dbraw/zinc/57/85/50/986578550.db2.gz NSDSYMUQESUUHE-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM Nc1ccc(-c2cc(Cl)ccc2[O-])nn1 ZINC001245049086 986603762 /nfs/dbraw/zinc/60/37/62/986603762.db2.gz PKCOTFHGYGFULC-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1O ZINC001465893766 986745869 /nfs/dbraw/zinc/74/58/69/986745869.db2.gz TUYHGSKXYVZOCY-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM CC1(NC(=O)c2ccc(F)c([O-])c2)CCC1 ZINC001466157822 986777331 /nfs/dbraw/zinc/77/73/31/986777331.db2.gz MYIGYIXKJINAPO-UHFFFAOYSA-N -1 1 223.247 2.204 20 0 BEADMM C[C@H](NC(=O)c1cccc([O-])c1F)C1CCC1 ZINC001466661491 986819586 /nfs/dbraw/zinc/81/95/86/986819586.db2.gz DYRMXJXEIROTFO-QMMMGPOBSA-N -1 1 237.274 2.450 20 0 BEADMM CCC1(NC(=O)c2cnncc2[O-])CCCCC1 ZINC001468235709 986890355 /nfs/dbraw/zinc/89/03/55/986890355.db2.gz UZZJZZCUASCPCF-UHFFFAOYSA-N -1 1 249.314 2.025 20 0 BEADMM CC[C@@H](C)CONC(=O)c1ccc(F)c([O-])c1 ZINC001468498042 986920656 /nfs/dbraw/zinc/92/06/56/986920656.db2.gz PFKRETCHGUNCDY-MRVPVSSYSA-N -1 1 241.262 2.239 20 0 BEADMM O=C(CCCCCO)Nc1c([O-])cccc1F ZINC001469928832 987006139 /nfs/dbraw/zinc/00/61/39/987006139.db2.gz MQYUHDFGZGOIRY-UHFFFAOYSA-N -1 1 241.262 2.023 20 0 BEADMM CCn1cccc(-c2c([O-])cccc2F)c1=O ZINC001245654434 987032167 /nfs/dbraw/zinc/03/21/67/987032167.db2.gz FDLPPNCFELUZEB-UHFFFAOYSA-N -1 1 233.242 2.380 20 0 BEADMM C[C@@]1(C[N-]C(=O)C(F)(F)C(F)F)CC1(F)F ZINC000689605537 987071268 /nfs/dbraw/zinc/07/12/68/987071268.db2.gz HNTNOVZRCDYORZ-LURJTMIESA-N -1 1 249.154 2.048 20 0 BEADMM Cc1ocnc1C(=O)Nc1cccc(F)c1[O-] ZINC001471166599 987081014 /nfs/dbraw/zinc/08/10/14/987081014.db2.gz MQVSWVUNTQEIAE-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM Cc1cnc(NC(=O)c2cc(F)ccc2[O-])o1 ZINC001471676570 987106138 /nfs/dbraw/zinc/10/61/38/987106138.db2.gz CUSANUHBGZIMPI-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM O=C([O-])c1ccccc1-n1[nH]c(C2CC2)cc1=O ZINC001245910950 987132821 /nfs/dbraw/zinc/13/28/21/987132821.db2.gz OTOAAXIXVSSFIJ-UHFFFAOYSA-N -1 1 244.250 2.154 20 0 BEADMM CC(C)c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC001245917520 987147898 /nfs/dbraw/zinc/14/78/98/987147898.db2.gz LPCYZBIXXRNPCO-UHFFFAOYSA-N -1 1 246.266 2.400 20 0 BEADMM Cc1cc(=O)n(-c2cc(F)ccc2C)[n-]1 ZINC001245925511 987174058 /nfs/dbraw/zinc/17/40/58/987174058.db2.gz OVFMIBDELCURBN-UHFFFAOYSA-N -1 1 206.220 2.334 20 0 BEADMM COCCc1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC001245939147 987214750 /nfs/dbraw/zinc/21/47/50/987214750.db2.gz DDPBMJOENTYWGY-UHFFFAOYSA-N -1 1 232.283 2.075 20 0 BEADMM NC(=S)n1[n-]c(CC2CCCCC2)cc1=O ZINC001245939268 987215473 /nfs/dbraw/zinc/21/54/73/987215473.db2.gz HSBNGAQWQJEBCM-UHFFFAOYSA-N -1 1 239.344 2.424 20 0 BEADMM CCc1ccc(F)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001472570250 987243445 /nfs/dbraw/zinc/24/34/45/987243445.db2.gz DXWBASJALAPBDP-UHFFFAOYSA-N -1 1 249.245 2.069 20 0 BEADMM O=C(CCCC1CCCC1)Nc1c[n-][nH]c1=O ZINC001472570207 987247046 /nfs/dbraw/zinc/24/70/46/987247046.db2.gz CWCMRLGEGHJVBG-UHFFFAOYSA-N -1 1 237.303 2.414 20 0 BEADMM CC(C)(C)ONC(=O)c1c[nH]nc1-c1ccoc1 ZINC001116852159 987730525 /nfs/dbraw/zinc/73/05/25/987730525.db2.gz UGIDLZCIPFZBJV-UHFFFAOYSA-N -1 1 249.270 2.130 20 0 BEADMM C[C@@H](CF)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001599834984 988728369 /nfs/dbraw/zinc/72/83/69/988728369.db2.gz AKCQIKZKVHSNHN-OIBJUYFYSA-N -1 1 245.681 2.413 20 0 BEADMM CCc1c(C(C)C)[n-]n(Cc2ccncc2)c1=O ZINC001119066552 988827623 /nfs/dbraw/zinc/82/76/23/988827623.db2.gz ZLXLEHIYKRJSGY-GFCCVEGCSA-N -1 1 245.326 2.462 20 0 BEADMM COC[C@H]([N-]c1nc(C)no1)c1ccccc1 ZINC001120913754 989961298 /nfs/dbraw/zinc/96/12/98/989961298.db2.gz AYFNCRRCGBMHGC-NSHDSACASA-N -1 1 233.271 2.178 20 0 BEADMM COCC[C@@H]([N-]c1nc(C)no1)c1ccco1 ZINC001120920244 989966608 /nfs/dbraw/zinc/96/66/08/989966608.db2.gz GCMMOHMABLFOLE-SECBINFHSA-N -1 1 237.259 2.161 20 0 BEADMM CC(C)(CF)NCc1ccsc1C(=O)[O-] ZINC001590701675 990418618 /nfs/dbraw/zinc/41/86/18/990418618.db2.gz OASGGRUHMVXUTM-UHFFFAOYSA-N -1 1 231.292 2.284 20 0 BEADMM CC[C@@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001540353740 990607733 /nfs/dbraw/zinc/60/77/33/990607733.db2.gz OLMJWXONURGJSD-SNVBAGLBSA-N -1 1 234.299 2.192 20 0 BEADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001542627642 990671277 /nfs/dbraw/zinc/67/12/77/990671277.db2.gz NUKLCUSVNBQGNR-MNOVXSKESA-N -1 1 248.326 2.343 20 0 BEADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(F)c([O-])c1 ZINC001556392658 990824513 /nfs/dbraw/zinc/82/45/13/990824513.db2.gz CEJGWSFUDHZQEA-GXSJLCMTSA-N -1 1 235.258 2.060 20 0 BEADMM O=C(NCC1(CC2CC2)CC1)c1ncccc1[O-] ZINC001558138685 990922690 /nfs/dbraw/zinc/92/26/90/990922690.db2.gz CMIGJQRDYOXQSI-UHFFFAOYSA-N -1 1 246.310 2.097 20 0 BEADMM CC[C@H](CC(=O)Nc1c[n-][nH]c1=O)C(C)C ZINC001558988475 991014192 /nfs/dbraw/zinc/01/41/92/991014192.db2.gz RZQCDXRNBTUGMR-MRVPVSSYSA-N -1 1 225.292 2.126 20 0 BEADMM CC1(CC(=O)Nc2c[n-][nH]c2=O)CCCC1 ZINC001558988473 991016171 /nfs/dbraw/zinc/01/61/71/991016171.db2.gz RXKBCQPWNQLLME-UHFFFAOYSA-N -1 1 223.276 2.024 20 0 BEADMM Cc1ccc(Cl)c(SCc2nn[n-]n2)c1 ZINC001559462877 991109577 /nfs/dbraw/zinc/10/95/77/991109577.db2.gz WZCOUYFMXGZSGJ-UHFFFAOYSA-N -1 1 240.719 2.454 20 0 BEADMM CCCC[C@H](CCC)[NH2+]CCP(=O)([O-])[O-] ZINC001258755271 991696013 /nfs/dbraw/zinc/69/60/13/991696013.db2.gz JLLJQRJPEKQMRD-JTQLQIEISA-N -1 1 237.280 2.113 20 0 BEADMM CCC1(CNC(=O)c2ccc([O-])cn2)CCC1 ZINC001566231810 991831979 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1171863653 /nfs/dbraw/zinc/86/36/53/1171863653.db2.gz HZICQNDORQNRQY-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM CCC(C)(CC)NC(=O)c1ncc(C)cc1[O-] ZINC000358630788 168310948 /nfs/dbraw/zinc/31/09/48/168310948.db2.gz OFFQAGPQTAYVGH-UHFFFAOYSA-N -1 1 236.315 2.404 20 0 BEADMM O=C(c1ccc([O-])cn1)N(C1CCC1)C1CCC1 ZINC001638050200 1171987945 /nfs/dbraw/zinc/98/79/45/1171987945.db2.gz PHZIFEYKSCAVIE-UHFFFAOYSA-N -1 1 246.310 2.334 20 0 BEADMM O=c1[n-]c(-c2ccc(Cl)o2)nc2cccnc12 ZINC000491572169 538921106 /nfs/dbraw/zinc/92/11/06/538921106.db2.gz LPLGZIHDRZDJTE-UHFFFAOYSA-N -1 1 247.641 2.232 20 0 BEADMM Cc1ccnc(NCC2(C(=O)[O-])CCCC2)c1 ZINC000649402143 398205519 /nfs/dbraw/zinc/20/55/19/398205519.db2.gz ULAGMYBRAOOBEW-UHFFFAOYSA-N -1 1 234.299 2.447 20 0 BEADMM CCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)[O-])o1 ZINC000576668378 365654064 /nfs/dbraw/zinc/65/40/64/365654064.db2.gz WZTQBUMZQHIAGO-GXSJLCMTSA-N -1 1 237.299 2.452 20 0 BEADMM CC(F)(F)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000378846540 346845113 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CCN(CCC1CC1)C(=O)c1cncc([O-])c1 ZINC000354769887 388545409 /nfs/dbraw/zinc/54/54/09/388545409.db2.gz HXVLRDOAGQQCLM-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM Cc1csc(CNC(=O)c2ncccc2[O-])c1 ZINC000344719885 388508488 /nfs/dbraw/zinc/50/84/88/388508488.db2.gz HENRIMHYIUYEOO-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM O=C(c1ccc2ccccc2c1[O-])N1CC(F)C1 ZINC000336157555 134106591 /nfs/dbraw/zinc/10/65/91/134106591.db2.gz IBZCRZYPUGKADO-UHFFFAOYSA-N -1 1 245.253 2.339 20 0 BEADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC000251973815 135082936 /nfs/dbraw/zinc/08/29/36/135082936.db2.gz YHOJASNKVRJIHM-GMTAPVOTSA-N -1 1 248.326 2.342 20 0 BEADMM Cc1ccnc(N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000257643447 135137848 /nfs/dbraw/zinc/13/78/48/135137848.db2.gz FVTNVLKJJPCAJA-JTQLQIEISA-N -1 1 222.288 2.301 20 0 BEADMM CC[C@H]1CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000335558702 136100301 /nfs/dbraw/zinc/10/03/01/136100301.db2.gz NIVIDCFRHVYQRK-ZETCQYMHSA-N -1 1 241.237 2.295 20 0 BEADMM Cc1cnc(C(=O)NC2(CC(C)C)CC2)c([O-])c1 ZINC001646252513 1172725364 /nfs/dbraw/zinc/72/53/64/1172725364.db2.gz QKNZUOIJNLUXCX-UHFFFAOYSA-N -1 1 248.326 2.404 20 0 BEADMM O=C(NC/C=C\Cl)c1c(F)ccc([O-])c1F ZINC001648416527 1172834315 /nfs/dbraw/zinc/83/43/15/1172834315.db2.gz DGNNHCJFWWNTAJ-RJRFIUFISA-N -1 1 247.628 2.153 20 0 BEADMM CC1(NC(=O)c2ccc([O-])cc2F)CC=CC1 ZINC000655223875 409628070 /nfs/dbraw/zinc/62/80/70/409628070.db2.gz XZOOQMLGDVRZHH-UHFFFAOYSA-N -1 1 235.258 2.370 20 0 BEADMM Cc1ccnc(NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000662900864 409972967 /nfs/dbraw/zinc/97/29/67/409972967.db2.gz SMAUCKGDMYMYLD-NSHDSACASA-N -1 1 234.299 2.303 20 0 BEADMM Cc1c(-c2ccccc2)[n-]n(C(C)C)c1=O ZINC000128140163 409928314 /nfs/dbraw/zinc/92/83/14/409928314.db2.gz LZENFUKKPJYCPA-SNVBAGLBSA-N -1 1 216.284 2.277 20 0 BEADMM CCc1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])o1 ZINC000650794877 410441814 /nfs/dbraw/zinc/44/18/14/410441814.db2.gz JFWLHJQJRMNUFL-CABZTGNLSA-N -1 1 237.299 2.280 20 0 BEADMM O=c1c2c([n-]n1C1CCCC1)CCCC2 ZINC000104709099 410948406 /nfs/dbraw/zinc/94/84/06/410948406.db2.gz XPAIXNBEMSJVER-SNVBAGLBSA-N -1 1 206.289 2.317 20 0 BEADMM O=C([O-])CN(Cc1ccsc1)C1CCC1 ZINC000656100183 411178198 /nfs/dbraw/zinc/17/81/98/411178198.db2.gz GIYAWOHRTAUNPQ-UHFFFAOYSA-N -1 1 225.313 2.187 20 0 BEADMM Cc1cccc2nc(-c3cccnc3)[n-]c(=O)c12 ZINC000048606492 411207012 /nfs/dbraw/zinc/20/70/12/411207012.db2.gz WJLAUNWKAAPZOC-UHFFFAOYSA-N -1 1 237.262 2.294 20 0 BEADMM CC1(CNC(=O)c2cncc([O-])c2)CCCC1 ZINC000109041648 168039602 /nfs/dbraw/zinc/03/96/02/168039602.db2.gz LNBDZBUQINTTAD-UHFFFAOYSA-N -1 1 234.299 2.097 20 0 BEADMM CC1CC(NC(=O)c2c([O-])cccc2F)C1 ZINC000228858551 168144404 /nfs/dbraw/zinc/14/44/04/168144404.db2.gz JIMSDQQGERYINW-UHFFFAOYSA-N -1 1 223.247 2.060 20 0 BEADMM CCC(=CC(=O)Nc1nc(SC)n[nH]1)CC ZINC000268290021 168196047 /nfs/dbraw/zinc/19/60/47/168196047.db2.gz UFXYMJQXUXQNEO-UHFFFAOYSA-N -1 1 240.332 2.212 20 0 BEADMM CCC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000330717039 168253468 /nfs/dbraw/zinc/25/34/68/168253468.db2.gz USCLJPZQZFSUSQ-QMMMGPOBSA-N -1 1 240.328 2.259 20 0 BEADMM CCC(C)(C)NC(=O)c1c([O-])cccc1F ZINC000163857216 168297143 /nfs/dbraw/zinc/29/71/43/168297143.db2.gz LUPHFHRIQSGQLN-UHFFFAOYSA-N -1 1 225.263 2.450 20 0 BEADMM CC[C@@H](F)CSc1ncc(C)c(=O)[n-]1 ZINC000657261805 411433718 /nfs/dbraw/zinc/43/37/18/411433718.db2.gz AVYBFBJCEFMRSP-SSDOTTSWSA-N -1 1 216.281 2.331 20 0 BEADMM Cc1cnc(CSc2ncc(C)c(=O)[n-]2)o1 ZINC000657261711 411434008 /nfs/dbraw/zinc/43/40/08/411434008.db2.gz ABRWFPWVNPRVOK-UHFFFAOYSA-N -1 1 237.284 2.079 20 0 BEADMM CCOCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010599 170375754 /nfs/dbraw/zinc/37/57/54/170375754.db2.gz KXCRDUQTOHDOHT-UHFFFAOYSA-N -1 1 249.310 2.127 20 0 BEADMM CC[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000134977164 171007450 /nfs/dbraw/zinc/00/74/50/171007450.db2.gz YQOKSZVGOZVXLD-SECBINFHSA-N -1 1 237.274 2.403 20 0 BEADMM CC[C@H](C)CN(CC)C(=O)c1ncccc1[O-] ZINC000093263914 171278197 /nfs/dbraw/zinc/27/81/97/171278197.db2.gz MLBWMQFISGTVFU-JTQLQIEISA-N -1 1 236.315 2.295 20 0 BEADMM CC[C@H](C)CONC(=O)c1ccc([O-])cc1F ZINC000293865340 171290570 /nfs/dbraw/zinc/29/05/70/171290570.db2.gz YAYZHGGPPJMCAJ-QMMMGPOBSA-N -1 1 241.262 2.239 20 0 BEADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(C)s1 ZINC000062337012 171311265 /nfs/dbraw/zinc/31/12/65/171311265.db2.gz IFRSVVVCYJBUCE-QMMMGPOBSA-N -1 1 242.344 2.137 20 0 BEADMM CC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008447386 171345030 /nfs/dbraw/zinc/34/50/30/171345030.db2.gz IVMQIUNOPZRAPT-ZETCQYMHSA-N -1 1 249.282 2.042 20 0 BEADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccsc1 ZINC000104409645 175852232 /nfs/dbraw/zinc/85/22/32/175852232.db2.gz YZOJQLXKJXWPOT-MRVPVSSYSA-N -1 1 248.307 2.340 20 0 BEADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000104409628 176076410 /nfs/dbraw/zinc/07/64/10/176076410.db2.gz DORDXUJORAKSAQ-GHMZBOCLSA-N -1 1 248.326 2.343 20 0 BEADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000042869287 176084748 /nfs/dbraw/zinc/08/47/48/176084748.db2.gz HAYUTJUNBYPCOR-MNOVXSKESA-N -1 1 248.326 2.343 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111738940 176122274 /nfs/dbraw/zinc/12/22/74/176122274.db2.gz LMDOXXPVYTZRKH-MWLCHTKSSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC000037760599 176122672 /nfs/dbraw/zinc/12/26/72/176122672.db2.gz CCSZDVDQIIKZNJ-GMTAPVOTSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H](C)C1 ZINC000104428862 176165453 /nfs/dbraw/zinc/16/54/53/176165453.db2.gz RARNFQUGZGNSMD-NXEZZACHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000104409630 177079421 /nfs/dbraw/zinc/07/94/21/177079421.db2.gz DORDXUJORAKSAQ-WDEREUQCSA-N -1 1 248.326 2.343 20 0 BEADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000042869290 177086029 /nfs/dbraw/zinc/08/60/29/177086029.db2.gz HAYUTJUNBYPCOR-QWRGUYRKSA-N -1 1 248.326 2.343 20 0 BEADMM C[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080035957 177094432 /nfs/dbraw/zinc/09/44/32/177094432.db2.gz JFGFHIMFGFJMCK-VIFPVBQESA-N -1 1 237.274 2.403 20 0 BEADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ncccc1[O-] ZINC000340998058 177118134 /nfs/dbraw/zinc/11/81/34/177118134.db2.gz ZQRDHEAPVNQAFQ-IAZYJMLFSA-N -1 1 248.326 2.342 20 0 BEADMM C[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000037760688 177136390 /nfs/dbraw/zinc/13/63/90/177136390.db2.gz TXIABBCXFBYPLP-UWVGGRQHSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000131932296 177152758 /nfs/dbraw/zinc/15/27/58/177152758.db2.gz NBBIXKOLQXSMBQ-QMMMGPOBSA-N -1 1 223.247 2.013 20 0 BEADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ncccc1[O-] ZINC000088707560 177184778 /nfs/dbraw/zinc/18/47/78/177184778.db2.gz FKUTUGDDAXNDIF-VHSXEESVSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)C(C)(C)C1 ZINC000266964172 177230440 /nfs/dbraw/zinc/23/04/40/177230440.db2.gz YXMDBRAJLXGWGB-SECBINFHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cncc([O-])c1 ZINC000308727389 229245615 /nfs/dbraw/zinc/24/56/15/229245615.db2.gz NCOONTKVYSNMCF-QMTHXVAHSA-N -1 1 248.326 2.486 20 0 BEADMM CN(Cc1ccco1)C(=O)c1ccc([O-])c(F)c1 ZINC000681016541 487694859 /nfs/dbraw/zinc/69/48/59/487694859.db2.gz QXEGZHSIPLXODG-UHFFFAOYSA-N -1 1 249.241 2.397 20 0 BEADMM O=C(NC(C1CC1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681014211 487695074 /nfs/dbraw/zinc/69/50/74/487695074.db2.gz HMCWXNIMWVFPOV-UHFFFAOYSA-N -1 1 249.285 2.450 20 0 BEADMM O=C(Nc1cccc(O)c1)c1ccc([O-])c(F)c1 ZINC000681014748 487695163 /nfs/dbraw/zinc/69/51/63/487695163.db2.gz KECRRKITFYWGRH-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM O=C(NCc1ccco1)c1ccc([O-])c(F)c1 ZINC000681016098 487695764 /nfs/dbraw/zinc/69/57/64/487695764.db2.gz XASICLKRXOFMRX-UHFFFAOYSA-N -1 1 235.214 2.054 20 0 BEADMM CCN(CC1CC1)C(=O)c1ccc([O-])c(F)c1 ZINC000681046370 487705887 /nfs/dbraw/zinc/70/58/87/487705887.db2.gz JKJHAQRGPRMEMX-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CC1(C)[C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)C[C@@H]21 ZINC000681050025 487706467 /nfs/dbraw/zinc/70/64/67/487706467.db2.gz AYFGIMLYSCIMEN-AOOOYVTPSA-N -1 1 249.285 2.259 20 0 BEADMM Cc1ncccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681052299 487706885 /nfs/dbraw/zinc/70/68/85/487706885.db2.gz JLYXZURETNBDIS-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681050204 487707331 /nfs/dbraw/zinc/70/73/31/487707331.db2.gz XSFJPYNSLRCNPQ-BDAKNGLRSA-N -1 1 237.274 2.402 20 0 BEADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000681054295 487708464 /nfs/dbraw/zinc/70/84/64/487708464.db2.gz LHEZYHWVAOKXHJ-QWRGUYRKSA-N -1 1 249.285 2.403 20 0 BEADMM O=C(NC1(C2CC2)CC1)c1ccc([O-])c(F)c1 ZINC000681056664 487708889 /nfs/dbraw/zinc/70/88/89/487708889.db2.gz UCYMCRRDOQWNNH-UHFFFAOYSA-N -1 1 235.258 2.204 20 0 BEADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCSC1 ZINC000675601369 487752181 /nfs/dbraw/zinc/75/21/81/487752181.db2.gz UYAIWPFGYHBXRL-SSDOTTSWSA-N -1 1 241.287 2.223 20 0 BEADMM Cc1conc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000669611568 487804491 /nfs/dbraw/zinc/80/44/91/487804491.db2.gz RHGBELOAGOBYQL-UHFFFAOYSA-N -1 1 233.227 2.101 20 0 BEADMM CC(C)(C)C1CCN([N-]C(=O)C(F)F)CC1 ZINC000830254716 587543806 /nfs/dbraw/zinc/54/38/06/587543806.db2.gz XSSWCTQKMPAHEK-UHFFFAOYSA-N -1 1 234.290 2.041 20 0 BEADMM O=C(c1ncccc1[O-])N1C2CCCC1CCC2 ZINC000681735786 487849352 /nfs/dbraw/zinc/84/93/52/487849352.db2.gz YBFHOEZFMPPUIE-UHFFFAOYSA-N -1 1 246.310 2.334 20 0 BEADMM CO[C@@H](C)c1nsc([N-]c2c[nH]nc2C)n1 ZINC000669822818 487864918 /nfs/dbraw/zinc/86/49/18/487864918.db2.gz SQFHXZOBUDEZIU-LURJTMIESA-N -1 1 239.304 2.021 20 0 BEADMM Cc1cc(Cl)ccc1CNC[C@H](F)C(=O)[O-] ZINC001331994832 974914794 /nfs/dbraw/zinc/91/47/94/974914794.db2.gz JZMQZCKPIVIRFQ-JTQLQIEISA-N -1 1 245.681 2.161 20 0 BEADMM CC(C)(C)NC(=O)c1ncc2ccccc2c1[O-] ZINC000665915907 487950843 /nfs/dbraw/zinc/95/08/43/487950843.db2.gz QLAXLONTYKVEBT-UHFFFAOYSA-N -1 1 244.294 2.469 20 0 BEADMM Cc1csc(N(C)C(=O)c2ccccc2[O-])n1 ZINC000133564479 323019226 /nfs/dbraw/zinc/01/92/26/323019226.db2.gz TWYQLXBREBKGIA-UHFFFAOYSA-N -1 1 248.307 2.434 20 0 BEADMM O=C(NC1(C2CCC2)CCC1)c1cncc([O-])c1 ZINC000563869841 323181834 /nfs/dbraw/zinc/18/18/34/323181834.db2.gz LDEGFAOCYRVEFT-UHFFFAOYSA-N -1 1 246.310 2.240 20 0 BEADMM CC(C)c1noc([N-]CC(C)(F)F)n1 ZINC000307700936 323341723 /nfs/dbraw/zinc/34/17/23/323341723.db2.gz QZQAGOMYHJMDHF-UHFFFAOYSA-N -1 1 205.208 2.260 20 0 BEADMM COc1cccnc1NC(=O)c1ccccc1[O-] ZINC000537638670 324093876 /nfs/dbraw/zinc/09/38/76/324093876.db2.gz VUDSOQGIGONNLA-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM O=C(N[C@@H]1C=CCCC1)c1c([O-])cccc1F ZINC000129336634 324937832 /nfs/dbraw/zinc/93/78/32/324937832.db2.gz DDJYLGXVTIADBK-SECBINFHSA-N -1 1 235.258 2.370 20 0 BEADMM O=C(NCc1ccco1)c1cc(F)ccc1[O-] ZINC000071766034 325087963 /nfs/dbraw/zinc/08/79/63/325087963.db2.gz NWGRZRMVFHGCHC-UHFFFAOYSA-N -1 1 235.214 2.054 20 0 BEADMM CC(C)C(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000565840208 325963605 /nfs/dbraw/zinc/96/36/05/325963605.db2.gz LUZZGMKRVXUGIJ-UHFFFAOYSA-N -1 1 249.310 2.126 20 0 BEADMM O=C(c1ncccc1[O-])N(C1CC1)C1CCCC1 ZINC000153758131 326111824 /nfs/dbraw/zinc/11/18/24/326111824.db2.gz ZNYSQORROMSDAQ-UHFFFAOYSA-N -1 1 246.310 2.334 20 0 BEADMM CCc1nc(SC[C@H](C)OC)[n-]c(=O)c1C ZINC000568272442 326338744 /nfs/dbraw/zinc/33/87/44/326338744.db2.gz XFTHDMZTMFWZBA-ZETCQYMHSA-N -1 1 242.344 2.180 20 0 BEADMM CC1(F)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000684326263 488291403 /nfs/dbraw/zinc/29/14/03/488291403.db2.gz KSNSUNZNCNJDQK-UHFFFAOYSA-N -1 1 243.665 2.230 20 0 BEADMM CC(C)C1(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000647291839 490512372 /nfs/dbraw/zinc/51/23/72/490512372.db2.gz ZMYCXAJXVIXHSV-UHFFFAOYSA-N -1 1 237.274 2.450 20 0 BEADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)C1CC1 ZINC000228840920 491106712 /nfs/dbraw/zinc/10/67/12/491106712.db2.gz PYPCZPDGROLZMI-QMMMGPOBSA-N -1 1 237.274 2.307 20 0 BEADMM Cc1nc(-c2nc3ccc(O)cc3c(=O)[n-]2)co1 ZINC000345176488 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582930636 /nfs/dbraw/zinc/93/06/36/582930636.db2.gz BITNSHBLJUDLKO-DTWKUNHWSA-N -1 1 239.319 2.175 20 0 BEADMM Cc1cccc(CC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000726771505 583372833 /nfs/dbraw/zinc/37/28/33/583372833.db2.gz WLOKRQGJFHNFLO-CQSZACIVSA-N -1 1 249.310 2.112 20 0 BEADMM COC(C)(C)[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000895786607 583726997 /nfs/dbraw/zinc/72/69/97/583726997.db2.gz WGBLVKOWWWLWOU-LURJTMIESA-N -1 1 245.710 2.061 20 0 BEADMM O=c1nc(N2CCCCCC2)cc(Cl)[n-]1 ZINC000858307134 588943677 /nfs/dbraw/zinc/94/36/77/588943677.db2.gz BEUIMJUKKDLFFA-UHFFFAOYSA-N -1 1 227.695 2.216 20 0 BEADMM C[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858311826 588943882 /nfs/dbraw/zinc/94/38/82/588943882.db2.gz NHVHSYYYFGOFSO-ZETCQYMHSA-N -1 1 227.695 2.214 20 0 BEADMM CCC(CC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858310541 588943944 /nfs/dbraw/zinc/94/39/44/588943944.db2.gz MCSILZCOEGIYNI-UHFFFAOYSA-N -1 1 215.684 2.436 20 0 BEADMM CC(C)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858309203 588944108 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/nfs/dbraw/zinc/98/29/18/586982918.db2.gz HVLQNSFDGOWJMO-SECBINFHSA-N -1 1 237.686 2.328 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000820407233 587046633 /nfs/dbraw/zinc/04/66/33/587046633.db2.gz GINPTFVTAZOZLX-ILWJIGKKSA-N -1 1 249.314 2.189 20 0 BEADMM Cc1cc(CN2CCCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000820976553 587085686 /nfs/dbraw/zinc/08/56/86/587085686.db2.gz ISHDBSALEASROW-GFCCVEGCSA-N -1 1 237.299 2.336 20 0 BEADMM Cc1[nH]ncc1CNc1ccc(C(=O)[O-])c(C)c1 ZINC000821041798 587090324 /nfs/dbraw/zinc/09/03/24/587090324.db2.gz RBYXNTFJYNSQSU-UHFFFAOYSA-N -1 1 245.282 2.337 20 0 BEADMM CC(C)[C@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824191078 587259871 /nfs/dbraw/zinc/25/98/71/587259871.db2.gz COBFOQWGFZJAPX-QMMMGPOBSA-N -1 1 249.343 2.398 20 0 BEADMM CC(C)[C@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824191078 587259873 /nfs/dbraw/zinc/25/98/73/587259873.db2.gz COBFOQWGFZJAPX-QMMMGPOBSA-N -1 1 249.343 2.398 20 0 BEADMM C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 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Cc1ccc([C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000832921238 587695160 /nfs/dbraw/zinc/69/51/60/587695160.db2.gz NWBCAOQFNCRLAS-SECBINFHSA-N -1 1 248.282 2.465 20 0 BEADMM Cc1ccc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000832921256 587695195 /nfs/dbraw/zinc/69/51/95/587695195.db2.gz NWBCAOQFNCRLAS-VIFPVBQESA-N -1 1 248.282 2.465 20 0 BEADMM C/C(=C/CN(Cc1cccnc1)C1CC1)C(=O)[O-] ZINC000833383597 587712407 /nfs/dbraw/zinc/71/24/07/587712407.db2.gz ONRFWQCNWKXQIG-WDZFZDKYSA-N -1 1 246.310 2.077 20 0 BEADMM O=C([O-])Nc1ccc(CN2C[C@H]3CCC[C@H]32)cn1 ZINC000834258638 587750279 /nfs/dbraw/zinc/75/02/79/587750279.db2.gz ISJWPWYODSPDKO-GHMZBOCLSA-N -1 1 247.298 2.156 20 0 BEADMM O=C([O-])Nc1ccc(CN2C[C@@H]3CCC[C@@H]32)cn1 ZINC000834258641 587750357 /nfs/dbraw/zinc/75/03/57/587750357.db2.gz ISJWPWYODSPDKO-QWRGUYRKSA-N -1 1 247.298 2.156 20 0 BEADMM CC(C)(F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825532 587767872 /nfs/dbraw/zinc/76/78/72/587767872.db2.gz MHAXVYCMEKZMLI-UHFFFAOYSA-N -1 1 245.681 2.410 20 0 BEADMM C[C@@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833542 587768321 /nfs/dbraw/zinc/76/83/21/587768321.db2.gz CBNYDBAPRUSJIE-APPZFPTMSA-N -1 1 239.702 2.318 20 0 BEADMM CC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1CC1(C)C ZINC000841451578 587955231 /nfs/dbraw/zinc/95/52/31/587955231.db2.gz STKIQOFHAYKDQN-RQJHMYQMSA-N -1 1 223.238 2.490 20 0 BEADMM CC(C)(C)CC(=O)[N-]OCc1nccs1 ZINC000842061393 587993984 /nfs/dbraw/zinc/99/39/84/587993984.db2.gz JPXGWUXREZLJFG-UHFFFAOYSA-N -1 1 228.317 2.127 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(F)CC1 ZINC000843831414 588143927 /nfs/dbraw/zinc/14/39/27/588143927.db2.gz SZJSZWXWGUGLHB-UHFFFAOYSA-N -1 1 229.638 2.486 20 0 BEADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc(C)oc1C ZINC000844935371 588219493 /nfs/dbraw/zinc/21/94/93/588219493.db2.gz CNXOJRVKSNKWNE-NSHDSACASA-N -1 1 225.288 2.191 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)c1c(F)ccnc1F ZINC000848120286 588358609 /nfs/dbraw/zinc/35/86/09/588358609.db2.gz CYWSEGYJRTYXND-SSDOTTSWSA-N -1 1 244.241 2.067 20 0 BEADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccncc1 ZINC000868523238 589562691 /nfs/dbraw/zinc/56/26/91/589562691.db2.gz UJQIHERPVSTVET-WDEREUQCSA-N -1 1 236.315 2.279 20 0 BEADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccncc1 ZINC000868554178 589563849 /nfs/dbraw/zinc/56/38/49/589563849.db2.gz PQIMNRIJSYDYMK-SNVBAGLBSA-N -1 1 234.299 2.033 20 0 BEADMM CC(C)ONC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868658836 589571135 /nfs/dbraw/zinc/57/11/35/589571135.db2.gz KQKFMEFFHAOPBV-UHFFFAOYSA-N -1 1 243.690 2.044 20 0 BEADMM CC(C)OC1(C[N-]C(=O)C(F)(F)F)CCC1 ZINC000871597525 589771714 /nfs/dbraw/zinc/77/17/14/589771714.db2.gz RUGWKSWFFDPYTB-UHFFFAOYSA-N -1 1 239.237 2.013 20 0 BEADMM CCc1c(C(C)C)[n-]n(C2CCC2)c1=O ZINC000871943127 589834179 /nfs/dbraw/zinc/83/41/79/589834179.db2.gz ZLGOKYBXAGDTHT-JTQLQIEISA-N -1 1 208.305 2.419 20 0 BEADMM CCc1[n-]n(-c2cccc(C)c2)c(=O)c1F ZINC000871940398 589835871 /nfs/dbraw/zinc/83/58/71/589835871.db2.gz ICRXKEIQPGHILG-LLVKDONJSA-N -1 1 220.247 2.446 20 0 BEADMM CCc1[n-]n(C2CCCCC2)c(=O)c1F ZINC000871948071 589838360 /nfs/dbraw/zinc/83/83/60/589838360.db2.gz QXDUOYJXTHZNTC-JTQLQIEISA-N -1 1 212.268 2.265 20 0 BEADMM CC(C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948004 589838737 /nfs/dbraw/zinc/83/87/37/589838737.db2.gz NYGQFVMQOPSHQO-VIFPVBQESA-N -1 1 208.305 2.419 20 0 BEADMM CCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871945933 589838778 /nfs/dbraw/zinc/83/87/78/589838778.db2.gz DFLFHSLYWSNEJZ-VIFPVBQESA-N -1 1 208.305 2.421 20 0 BEADMM CCc1c(C)[n-]n(-c2cccc(Cl)n2)c1=O ZINC000871950342 589839996 /nfs/dbraw/zinc/83/99/96/589839996.db2.gz CVWAEOZSPNHVKU-QMMMGPOBSA-N -1 1 237.690 2.484 20 0 BEADMM CCc1[n-]n(C(CC)CC)c(=O)c1F ZINC000871951141 589840629 /nfs/dbraw/zinc/84/06/29/589840629.db2.gz KJXCWDMCYHAKPN-SECBINFHSA-N -1 1 200.257 2.121 20 0 BEADMM Cc1[n-]n(-c2cccnc2Cl)c(=O)c1C1CC1 ZINC000871952718 589841068 /nfs/dbraw/zinc/84/10/68/589841068.db2.gz MHRFXKYJIGEUBP-SNVBAGLBSA-N -1 1 249.701 2.484 20 0 BEADMM COC[C@H](C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871955839 589843370 /nfs/dbraw/zinc/84/33/70/589843370.db2.gz ZFWZVYVCGBAYPP-VHSXEESVSA-N -1 1 238.331 2.046 20 0 BEADMM COC[C@H](C)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871955838 589843658 /nfs/dbraw/zinc/84/36/58/589843658.db2.gz ZFWZVYVCGBAYPP-UWVGGRQHSA-N -1 1 238.331 2.046 20 0 BEADMM CCc1[n-]n(-c2ccc3n[nH]cc3c2)c(=O)c1F ZINC000871957410 589843694 /nfs/dbraw/zinc/84/36/94/589843694.db2.gz FFRSXTKRIYGGPV-NSHDSACASA-N -1 1 246.245 2.014 20 0 BEADMM Cc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1C ZINC000871962625 589847405 /nfs/dbraw/zinc/84/74/05/589847405.db2.gz GPRNZQWRFROFJQ-VXNVDRBHSA-N -1 1 230.258 2.276 20 0 BEADMM CCc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1F ZINC000871962818 589847725 /nfs/dbraw/zinc/84/77/25/589847725.db2.gz HHHYHXPBYCDAFE-VXNVDRBHSA-N -1 1 248.248 2.368 20 0 BEADMM CC[C@@H](C)C(=O)[N-]Oc1ccccc1F ZINC000874911702 590154968 /nfs/dbraw/zinc/15/49/68/590154968.db2.gz AVHWRDGIGWVZQW-MRVPVSSYSA-N -1 1 211.236 2.282 20 0 BEADMM COCc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874927356 590155583 /nfs/dbraw/zinc/15/55/83/590155583.db2.gz GZWZCLQIIQMDGI-POHAHGRESA-N -1 1 249.291 2.157 20 0 BEADMM COc1cc(C)ccc1C=C1SC(=O)[N-]C1=O ZINC000874929695 590156125 /nfs/dbraw/zinc/15/61/25/590156125.db2.gz MREIZTHNDSIHRL-UXBLZVDNSA-N -1 1 249.291 2.328 20 0 BEADMM O=C1[N-]C(=O)C(=Cc2cc3cnccc3o2)S1 ZINC000874930054 590156139 /nfs/dbraw/zinc/15/61/39/590156139.db2.gz VQPCCTLNJCNANL-WTKPLQERSA-N -1 1 246.247 2.152 20 0 BEADMM COc1ccsc1C=C1SC(=O)[N-]C1=O ZINC000874928784 590156304 /nfs/dbraw/zinc/15/63/04/590156304.db2.gz SUCNLIYSPFEITB-QPJJXVBHSA-N -1 1 241.293 2.081 20 0 BEADMM CN(C/C(Cl)=C\Cl)C(C)(C)C(=O)[O-] ZINC000211365663 591163384 /nfs/dbraw/zinc/16/33/84/591163384.db2.gz HTBSBUDOTASNEH-GQCTYLIASA-N -1 1 226.103 2.100 20 0 BEADMM CCc1nccc(=NOC[C@@H](C)CC)[n-]1 ZINC000884513344 591962237 /nfs/dbraw/zinc/96/22/37/591962237.db2.gz GTVKHPVYSBQQGK-VIFPVBQESA-N -1 1 209.293 2.429 20 0 BEADMM CC[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000221803666 592447709 /nfs/dbraw/zinc/44/77/09/592447709.db2.gz BUXJWTLJZVPWLX-SSDOTTSWSA-N -1 1 212.220 2.487 20 0 BEADMM C[C@@H]1CCc2c1[n-]n(C1CCSCC1)c2=O ZINC000887292950 592476868 /nfs/dbraw/zinc/47/68/68/592476868.db2.gz MWUUWTQNJJWNKO-SCZZXKLOSA-N -1 1 238.356 2.126 20 0 BEADMM O=C(c1cncc([O-])c1)N1CC[C@H]1C1CCCC1 ZINC000889407696 592609076 /nfs/dbraw/zinc/60/90/76/592609076.db2.gz SKNYGGJNCXNLAS-ZDUSSCGKSA-N -1 1 246.310 2.192 20 0 BEADMM C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000062839009 597152711 /nfs/dbraw/zinc/15/27/11/597152711.db2.gz VNPUOZDZRRPDCO-SSDOTTSWSA-N -1 1 242.344 2.003 20 0 BEADMM O=C([O-])c1cccc(CNCc2ccoc2)c1 ZINC000236486480 598194051 /nfs/dbraw/zinc/19/40/51/598194051.db2.gz HYLQTKYXJKPDBF-UHFFFAOYSA-N -1 1 231.251 2.268 20 0 BEADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC000095258669 599416017 /nfs/dbraw/zinc/41/60/17/599416017.db2.gz PVCZOZQARJYTRF-VIFPVBQESA-N -1 1 246.318 2.108 20 0 BEADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC000095258669 599416018 /nfs/dbraw/zinc/41/60/18/599416018.db2.gz PVCZOZQARJYTRF-VIFPVBQESA-N -1 1 246.318 2.108 20 0 BEADMM O=C([O-])CN1CCCCC[C@@H]1c1ccco1 ZINC000390365426 600273717 /nfs/dbraw/zinc/27/37/17/600273717.db2.gz TZUYMXSJINFTGS-SNVBAGLBSA-N -1 1 223.272 2.281 20 0 BEADMM CCc1ccc([C@@H]2CCCN2CC(=O)[O-])o1 ZINC000309377750 600461851 /nfs/dbraw/zinc/46/18/51/600461851.db2.gz RMXTXKUEHNCFPU-JTQLQIEISA-N -1 1 223.272 2.064 20 0 BEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C/C=C\Cl ZINC000739014125 602275900 /nfs/dbraw/zinc/27/59/00/602275900.db2.gz ZMVFGUMLIMAQIZ-SBXZVLJPSA-N -1 1 246.738 2.250 20 0 BEADMM CC(C)(CNC(=O)[O-])NCc1ccc(Cl)o1 ZINC000738753560 602318254 /nfs/dbraw/zinc/31/82/54/602318254.db2.gz ZGMCEBNWCCZCCU-UHFFFAOYSA-N -1 1 246.694 2.069 20 0 BEADMM Cc1ccccc1CN1CCN(C(=O)[O-])C[C@@H]1C ZINC000740182204 602738383 /nfs/dbraw/zinc/73/83/83/602738383.db2.gz BQOLDGQZUPLPGU-LBPRGKRZSA-N -1 1 248.326 2.179 20 0 BEADMM CCc1ccc(CN(CC(=O)[O-])C2CC2)s1 ZINC000037474631 604756401 /nfs/dbraw/zinc/75/64/01/604756401.db2.gz FJVYCKDBHKDMJA-UHFFFAOYSA-N -1 1 239.340 2.360 20 0 BEADMM CC(C)C[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095224717 607730966 /nfs/dbraw/zinc/73/09/66/607730966.db2.gz NLXXMPGMYMDKGU-SECBINFHSA-N -1 1 246.318 2.108 20 0 BEADMM CC(C)C[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095224717 607730967 /nfs/dbraw/zinc/73/09/67/607730967.db2.gz NLXXMPGMYMDKGU-SECBINFHSA-N -1 1 246.318 2.108 20 0 BEADMM CC1(Nc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC000095231460 607896987 /nfs/dbraw/zinc/89/69/87/607896987.db2.gz QZNAVECBXFHTJK-UHFFFAOYSA-N -1 1 244.302 2.006 20 0 BEADMM CC1(Nc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC000095231460 607896988 /nfs/dbraw/zinc/89/69/88/607896988.db2.gz QZNAVECBXFHTJK-UHFFFAOYSA-N -1 1 244.302 2.006 20 0 BEADMM CC[C@H](C)CCNc1cc(=O)[n-]c(COC)n1 ZINC000894520621 635903178 /nfs/dbraw/zinc/90/31/78/635903178.db2.gz NCZMOYOKMYIPAE-VIFPVBQESA-N -1 1 239.319 2.177 20 0 BEADMM O=C([N-][C@@H](C1CC1)C1CCC1)C(F)(F)F ZINC000306318497 635962291 /nfs/dbraw/zinc/96/22/91/635962291.db2.gz IMLYBOKVLXPPQT-MRVPVSSYSA-N -1 1 221.222 2.244 20 0 BEADMM CCc1cc(=O)[n-]c(SC[Si](C)(C)C)n1 ZINC000195065102 634348465 /nfs/dbraw/zinc/34/84/65/634348465.db2.gz WJBMKHIUYCVNFU-UHFFFAOYSA-N -1 1 242.420 2.302 20 0 BEADMM CCCc1ccc(CN(C)CC(=O)[O-])s1 ZINC000901575187 637267308 /nfs/dbraw/zinc/26/73/08/637267308.db2.gz MYYVZBOEHNHWDZ-UHFFFAOYSA-N -1 1 227.329 2.217 20 0 BEADMM C/C=C/CNCc1cc(C(=O)[O-])c(CC)o1 ZINC000902267198 637289559 /nfs/dbraw/zinc/28/95/59/637289559.db2.gz FPMVGTXLPRODDO-HWKANZROSA-N -1 1 223.272 2.206 20 0 BEADMM CCC[C@@H](CNc1cc(C)ccn1)C(=O)[O-] ZINC000910465122 639460480 /nfs/dbraw/zinc/46/04/80/639460480.db2.gz GFGXZWGMGZPDBE-JTQLQIEISA-N -1 1 222.288 2.303 20 0 BEADMM CCS[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000225294724 640680575 /nfs/dbraw/zinc/68/05/75/640680575.db2.gz YRDOXTJNANFAOL-RQJHMYQMSA-N -1 1 241.278 2.339 20 0 BEADMM O=C(C[C@H]1CC=CCC1)[N-]OCC(F)(F)F ZINC000934903279 641297927 /nfs/dbraw/zinc/29/79/27/641297927.db2.gz SUAXYCOQHLHZTJ-QMMMGPOBSA-N -1 1 237.221 2.343 20 0 BEADMM C[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)F)[C@H](C)C1 ZINC000078597426 641939265 /nfs/dbraw/zinc/93/92/65/641939265.db2.gz SKEBIPDFLIEXHU-PRJMDXOYSA-N -1 1 223.238 2.490 20 0 BEADMM CC1(C)C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000191976192 641953757 /nfs/dbraw/zinc/95/37/57/641953757.db2.gz FOHGPLJKUIIGGI-ZCFIWIBFSA-N -1 1 240.690 2.425 20 0 BEADMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1F ZINC000917347994 642047976 /nfs/dbraw/zinc/04/79/76/642047976.db2.gz QAMYNRYZJDDPFN-VIFPVBQESA-N -1 1 226.638 2.401 20 0 BEADMM CCCCCCNC(=O)c1ncccc1[O-] ZINC000070191720 642423683 /nfs/dbraw/zinc/42/36/83/642423683.db2.gz JKHIWYJYTVTJRV-UHFFFAOYSA-N -1 1 222.288 2.097 20 0 BEADMM Cc1ccc(CN2CCC[C@@]2(C)C(=O)[O-])o1 ZINC000070618184 643464001 /nfs/dbraw/zinc/46/40/01/643464001.db2.gz YEKPHMYBYKSKFL-LBPRGKRZSA-N -1 1 223.272 2.027 20 0 BEADMM Cc1cccc([C@@H](C)C(=O)[N-]OCC(F)F)c1 ZINC000759337181 644640012 /nfs/dbraw/zinc/64/00/12/644640012.db2.gz CCHCIAZRKPBPJG-SECBINFHSA-N -1 1 243.253 2.411 20 0 BEADMM C[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC000096610434 644826678 /nfs/dbraw/zinc/82/66/78/644826678.db2.gz RWOBUJUZGUOZOW-VIFPVBQESA-N -1 1 236.315 2.199 20 0 BEADMM O=C([N-]C1(C2CCC2)CCC1)C(F)(F)F ZINC000717827801 712681728 /nfs/dbraw/zinc/68/17/28/712681728.db2.gz GHDCVRFARFVIBD-UHFFFAOYSA-N -1 1 221.222 2.388 20 0 BEADMM CC[C@@H](C)OC(=O)c1csc(=NC2CC2)[n-]1 ZINC000381539772 710653042 /nfs/dbraw/zinc/65/30/42/710653042.db2.gz HELUMSAPFHRKPR-SSDOTTSWSA-N -1 1 240.328 2.095 20 0 BEADMM Cc1cnc(CN(CCC(=O)[O-])C(C)C)s1 ZINC000394710167 711196327 /nfs/dbraw/zinc/19/63/27/711196327.db2.gz RZYBJJUTDARRGR-UHFFFAOYSA-N -1 1 242.344 2.137 20 0 BEADMM CC[C@](C)([N-]C(=O)C(F)(F)F)C1CC1 ZINC000701042817 712013028 /nfs/dbraw/zinc/01/30/28/712013028.db2.gz KKSXHHDKVRAPRB-QMMMGPOBSA-N -1 1 209.211 2.244 20 0 BEADMM CCc1ccc(CN(CC(=O)[O-])CC(C)C)o1 ZINC000086778039 712049922 /nfs/dbraw/zinc/04/99/22/712049922.db2.gz IHLLQYNMIRRPPQ-UHFFFAOYSA-N -1 1 239.315 2.385 20 0 BEADMM 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/nfs/dbraw/zinc/54/91/24/977549124.db2.gz IBPVIANJFYNTDM-SNVBAGLBSA-N -1 1 243.328 2.200 20 0 BEADMM CSc1nc(Nc2cscn2)cc(=O)[n-]1 ZINC001175941884 977806007 /nfs/dbraw/zinc/80/60/07/977806007.db2.gz IQYSIMJAOYDDAH-UHFFFAOYSA-N -1 1 240.313 2.104 20 0 BEADMM CC(=O)CN(C)Cc1cccc([O-])c1Cl ZINC001232783761 978274570 /nfs/dbraw/zinc/27/45/70/978274570.db2.gz AEULHHDUOXSKGN-UHFFFAOYSA-N -1 1 227.691 2.066 20 0 BEADMM [O-]c1cc(CN2CC=CC2)cc(F)c1F ZINC001232970685 978377236 /nfs/dbraw/zinc/37/72/36/978377236.db2.gz LNRKZXLSHZARJY-UHFFFAOYSA-N -1 1 211.211 2.042 20 0 BEADMM Nc1cnc(-c2cccc([O-])c2Cl)nc1 ZINC000328451253 1168460972 /nfs/dbraw/zinc/46/09/72/1168460972.db2.gz LCFAOBIFTOQUSS-UHFFFAOYSA-N -1 1 221.647 2.085 20 0 BEADMM CC[C@@H](N[C@@H](CC)C(=O)[O-])c1nc(C)cs1 ZINC001595281585 980335814 /nfs/dbraw/zinc/33/58/14/980335814.db2.gz QZADLBHZFCYXFH-BDAKNGLRSA-N -1 1 242.344 2.355 20 0 BEADMM COCCOC(=O)Nc1ccc(Cl)cc1[O-] ZINC001193411132 981322211 /nfs/dbraw/zinc/32/22/11/981322211.db2.gz 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2.162 20 0 BEADMM O=C([O-])c1ccsc1CN1CCC[C@@H](F)C1 ZINC001144678250 972935827 /nfs/dbraw/zinc/93/58/27/972935827.db2.gz SDKYRPMDBDKUGN-MRVPVSSYSA-N -1 1 243.303 2.380 20 0 BEADMM Cc1nonc1[N-]c1c(F)ccc(C)c1O ZINC001215735777 970821309 /nfs/dbraw/zinc/82/13/09/970821309.db2.gz FAUPNFFWINGOJA-UHFFFAOYSA-N -1 1 223.207 2.275 20 0 BEADMM CCCCC[C@H](C)OCC[P@](=O)([O-])O ZINC001224600890 973786651 /nfs/dbraw/zinc/78/66/51/973786651.db2.gz BLRCTCBRMVQTRQ-VIFPVBQESA-N -1 1 224.237 2.150 20 0 BEADMM C[C@H](OCC[P@](=O)([O-])O)c1cccs1 ZINC001224603748 973794500 /nfs/dbraw/zinc/79/45/00/973794500.db2.gz BPDDJXCWJFSTCZ-ZETCQYMHSA-N -1 1 236.229 2.003 20 0 BEADMM CCC[C@@H](OCC[P@](=O)([O-])O)C(C)(C)C ZINC001224605920 973795112 /nfs/dbraw/zinc/79/51/12/973795112.db2.gz LCCAWJJTYHMUIF-SECBINFHSA-N -1 1 238.264 2.396 20 0 BEADMM Cc1nonc1[N-]c1cncc(OCC2CC2)c1 ZINC001216596964 971138999 /nfs/dbraw/zinc/13/89/99/971138999.db2.gz PMAYDYYUODEMJZ-UHFFFAOYSA-N -1 1 246.270 2.305 20 0 BEADMM C[C@@H]1CC[C@@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225023200 974149732 /nfs/dbraw/zinc/14/97/32/974149732.db2.gz VZOMBIBTWQPENY-NXEZZACHSA-N -1 1 236.248 2.150 20 0 BEADMM CC(C)(C)Cc1nnc(-c2ncccc2[O-])o1 ZINC001257835311 971500176 /nfs/dbraw/zinc/50/01/76/971500176.db2.gz UNGNGCKTKULTFK-UHFFFAOYSA-N -1 1 233.271 2.426 20 0 BEADMM C[C@H](NCC(=O)[O-])c1cc2ccccc2o1 ZINC000036722682 948814245 /nfs/dbraw/zinc/81/42/45/948814245.db2.gz MHBJVNRXBAAIOO-QMMMGPOBSA-N -1 1 219.240 2.168 20 0 BEADMM O=C([O-])c1ccc(CNCc2ccoc2)s1 ZINC000236471764 949915378 /nfs/dbraw/zinc/91/53/78/949915378.db2.gz MFOONTRKLJZFRD-UHFFFAOYSA-N -1 1 237.280 2.329 20 0 BEADMM Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001218828757 971952844 /nfs/dbraw/zinc/95/28/44/971952844.db2.gz RNYNQPSKZUEILB-UHFFFAOYSA-N -1 1 246.241 2.366 20 0 BEADMM CCC1(CC)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000386506376 972060184 /nfs/dbraw/zinc/06/01/84/972060184.db2.gz LUKVNXIQCCOJGP-UHFFFAOYSA-N -1 1 248.326 2.402 20 0 BEADMM Cc1cnc(F)c([N-]c2noc3nccnc23)c1 ZINC001211496052 957057145 /nfs/dbraw/zinc/05/71/45/957057145.db2.gz LDYZTAITNYWNMU-UHFFFAOYSA-N -1 1 245.217 2.204 20 0 BEADMM CN(Cc1ccco1)C1(C(=O)[O-])CCCCC1 ZINC000041875643 957400462 /nfs/dbraw/zinc/40/04/62/957400462.db2.gz BNMGECADEBQWPS-UHFFFAOYSA-N -1 1 237.299 2.499 20 0 BEADMM CC[C@@H](C(=O)[O-])N1Cc2ccc(C(C)=O)cc2C1 ZINC000058011829 957555912 /nfs/dbraw/zinc/55/59/12/957555912.db2.gz DYENUEMNILMSRX-ZDUSSCGKSA-N -1 1 247.294 2.068 20 0 BEADMM COc1nonc1[N-]c1ccc(F)c(F)c1C ZINC001210128794 957645613 /nfs/dbraw/zinc/64/56/13/957645613.db2.gz AEJZKKMCDOTGHZ-UHFFFAOYSA-N -1 1 241.197 2.408 20 0 BEADMM CC1(C)CCC[C@@H](C[N-]C(=O)C(F)(F)F)O1 ZINC000888082191 957788038 /nfs/dbraw/zinc/78/80/38/957788038.db2.gz LWIAWTMYVRKHFA-ZETCQYMHSA-N -1 1 239.237 2.013 20 0 BEADMM C/C(=C\C(=O)[O-])CN1CCc2sccc2C1 ZINC000082604341 957797241 /nfs/dbraw/zinc/79/72/41/957797241.db2.gz JBLAKVLANZEEIW-RMKNXTFCSA-N -1 1 237.324 2.137 20 0 BEADMM 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/nfs/dbraw/zinc/59/98/19/967599819.db2.gz BLRQYGFLSHNFJD-UHFFFAOYSA-N -1 1 200.241 2.466 20 0 BEADMM [O-]c1c(F)cc(CCn2ccnc2)cc1F ZINC001250319514 967692921 /nfs/dbraw/zinc/69/29/21/967692921.db2.gz SUJQLGMBXJHJKZ-UHFFFAOYSA-N -1 1 224.210 2.110 20 0 BEADMM Cc1nnc(Cc2c(F)ccc([O-])c2Cl)o1 ZINC001250341420 967729406 /nfs/dbraw/zinc/72/94/06/967729406.db2.gz AYXRCUJSLLFIJU-UHFFFAOYSA-N -1 1 242.637 2.467 20 0 BEADMM [O-]c1c(F)cc(Cc2ncccn2)cc1F ZINC001250344362 967739837 /nfs/dbraw/zinc/73/98/37/967739837.db2.gz GRQTYBYAVLQTKL-UHFFFAOYSA-N -1 1 222.194 2.051 20 0 BEADMM [O-]c1cc(F)c(-c2ccnc3ccnn32)c(F)c1 ZINC001250480615 967925045 /nfs/dbraw/zinc/92/50/45/967925045.db2.gz YPFSHHCLTDMGEK-UHFFFAOYSA-N -1 1 247.204 2.380 20 0 BEADMM COCc1cnc(-c2ccc([O-])cc2F)nc1 ZINC001206029986 967987461 /nfs/dbraw/zinc/98/74/61/967987461.db2.gz LCTDUFBHPBOHEW-UHFFFAOYSA-N -1 1 234.230 2.135 20 0 BEADMM COc1c(O[C@@H]2CC[C@@H](C)C2)nc(C)[n-]c1=O ZINC001230020550 968439004 /nfs/dbraw/zinc/43/90/04/968439004.db2.gz DFCXFBWFANCBJT-VXNVDRBHSA-N -1 1 238.287 2.067 20 0 BEADMM COc1ncc(-c2cc(F)c([O-])cc2F)cn1 ZINC001206775900 968465026 /nfs/dbraw/zinc/46/50/26/968465026.db2.gz QEDILRRONDANNL-UHFFFAOYSA-N -1 1 238.193 2.136 20 0 BEADMM Cn1cnc2cnc(-c3cc(F)ccc3[O-])cc21 ZINC001240693734 968644270 /nfs/dbraw/zinc/64/42/70/968644270.db2.gz XOKUKSXYWGLHOE-UHFFFAOYSA-N -1 1 243.241 2.480 20 0 BEADMM Cc1ncc(F)c(-c2cc(F)ccc2[O-])n1 ZINC001240693772 968644850 /nfs/dbraw/zinc/64/48/50/968644850.db2.gz YONAOUAZVZURAM-UHFFFAOYSA-N -1 1 222.194 2.436 20 0 BEADMM [O-]c1ccc(-c2nccn3ccnc23)cc1F ZINC001240786558 968687172 /nfs/dbraw/zinc/68/71/72/968687172.db2.gz MXCJHEKWTUHHIW-UHFFFAOYSA-N -1 1 229.214 2.241 20 0 BEADMM COCc1ccnc(-c2ccc(C)cc2[O-])n1 ZINC001241030096 968866032 /nfs/dbraw/zinc/86/60/32/968866032.db2.gz DCKLJNFLHPSASZ-UHFFFAOYSA-N -1 1 230.267 2.304 20 0 BEADMM CC(C)(C)C=Cc1ccc(-c2nnn[n-]2)nc1 ZINC001241563628 969049776 /nfs/dbraw/zinc/04/97/76/969049776.db2.gz OZGDTEKNDLIIQK-VOTSOKGWSA-N -1 1 229.287 2.321 20 0 BEADMM CC(C)(C)C=Cc1ccc(-c2nn[n-]n2)nc1 ZINC001241563628 969049784 /nfs/dbraw/zinc/04/97/84/969049784.db2.gz OZGDTEKNDLIIQK-VOTSOKGWSA-N -1 1 229.287 2.321 20 0 BEADMM [O-]c1cnc(Cl)c(-c2nnc(C3CC3)o2)c1 ZINC001254106532 969501006 /nfs/dbraw/zinc/50/10/06/969501006.db2.gz KOLAKPHSPZXYRT-UHFFFAOYSA-N -1 1 237.646 2.368 20 0 BEADMM Cc1nc2cc(NCc3cc(=O)[n-]o3)ccc2[nH]1 ZINC001169483712 969651321 /nfs/dbraw/zinc/65/13/21/969651321.db2.gz DXPVTIFQNBAYGS-UHFFFAOYSA-N -1 1 244.254 2.177 20 0 BEADMM Cc1cnc(NCc2cc(=O)[n-]o2)c2[nH]ccc21 ZINC001169481546 969653018 /nfs/dbraw/zinc/65/30/18/969653018.db2.gz IGROWBCQOOXLGF-UHFFFAOYSA-N -1 1 244.254 2.177 20 0 BEADMM [O-]c1cc(Nc2ccnnc2)cc(F)c1F ZINC001209961766 969705791 /nfs/dbraw/zinc/70/57/91/969705791.db2.gz VOHWZUHBONVUFM-UHFFFAOYSA-N -1 1 223.182 2.204 20 0 BEADMM CO[C@@H](C)c1cccc([N-]c2nonc2N)c1 ZINC001209945946 969710123 /nfs/dbraw/zinc/71/01/23/969710123.db2.gz HJFPFSWXHGCJNV-ZETCQYMHSA-N -1 1 234.259 2.103 20 0 BEADMM Cc1ncn(C)c1Nc1cccc(CC(=O)[O-])c1 ZINC001210068837 969787226 /nfs/dbraw/zinc/78/72/26/969787226.db2.gz FCCJGVKLHLMPEN-UHFFFAOYSA-N -1 1 245.282 2.099 20 0 BEADMM Cc1nnc([N-]c2cc3c[nH]nc3cc2C)o1 ZINC001210100268 969798412 /nfs/dbraw/zinc/79/84/12/969798412.db2.gz KMCGPHMZLZSYEV-UHFFFAOYSA-N -1 1 229.243 2.306 20 0 BEADMM [O-]c1cccnc1-c1nnc(C2CCC2)o1 ZINC001255155531 969963531 /nfs/dbraw/zinc/96/35/31/969963531.db2.gz WKUITRKGDZTPDG-UHFFFAOYSA-N -1 1 217.228 2.105 20 0 BEADMM COc1c(F)cc(F)cc1[N-]c1nonc1C ZINC001210864059 970056255 /nfs/dbraw/zinc/05/62/55/970056255.db2.gz GJWUZBDAFPPFHZ-UHFFFAOYSA-N -1 1 241.197 2.408 20 0 BEADMM Clc1cncnc1[N-]c1nccs1 ZINC001210987379 970087797 /nfs/dbraw/zinc/08/77/97/970087797.db2.gz RLJHHFMFOUSDHN-UHFFFAOYSA-N -1 1 212.665 2.330 20 0 BEADMM CCOC(=O)c1cccnc1[N-]c1nccs1 ZINC001210989713 970100183 /nfs/dbraw/zinc/10/01/83/970100183.db2.gz PZKDLMSPQKRFTN-UHFFFAOYSA-N -1 1 249.295 2.458 20 0 BEADMM Cn1cncc1Nc1nc2c(cccc2O)s1 ZINC001211245429 970188937 /nfs/dbraw/zinc/18/89/37/970188937.db2.gz KRUFZOYUUFEHSA-UHFFFAOYSA-N -1 1 246.295 2.479 20 0 BEADMM NC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211349877 970244426 /nfs/dbraw/zinc/24/44/26/970244426.db2.gz KLEOBTAKIWFLRM-UHFFFAOYSA-N -1 1 249.216 2.436 20 0 BEADMM [O-]c1c(F)cc(Nc2nnco2)cc1Cl ZINC001214480522 970505638 /nfs/dbraw/zinc/50/56/38/970505638.db2.gz UJQGYHJZONAFAC-UHFFFAOYSA-N -1 1 229.598 2.311 20 0 BEADMM Cc1nnc(-c2ccc([O-])cc2F)nc1C ZINC001206044294 970616163 /nfs/dbraw/zinc/61/61/63/970616163.db2.gz IHZQSPFEQQNLHQ-UHFFFAOYSA-N -1 1 219.219 2.000 20 0 BEADMM CCCCCc1nnc(-c2cc(C(C)=O)[n-]n2)o1 ZINC001256068218 970634240 /nfs/dbraw/zinc/63/42/40/970634240.db2.gz MQKBTVSICSYTBV-UHFFFAOYSA-N -1 1 248.286 2.395 20 0 BEADMM Cc1ncn(C)c1Nc1ccsc1C(=O)[O-] ZINC001215390429 970738173 /nfs/dbraw/zinc/73/81/73/970738173.db2.gz YVFJUHKFLZJYJM-UHFFFAOYSA-N -1 1 237.284 2.232 20 0 BEADMM Cc1cnc([C@H](C)NCCC(C)(C)C(=O)[O-])o1 ZINC000395797692 972830191 /nfs/dbraw/zinc/83/01/91/972830191.db2.gz CVRYURGOVGMXIE-VIFPVBQESA-N -1 1 240.303 2.135 20 0 BEADMM CN(Cc1cc(F)c([O-])cc1F)CC(F)F ZINC001144663596 972927421 /nfs/dbraw/zinc/92/74/21/972927421.db2.gz HGDOZVHMGQRXMW-UHFFFAOYSA-N -1 1 237.196 2.367 20 0 BEADMM CC[C@H]1CC[C@H](OCC[P@](=O)([O-])O)CC1 ZINC001224601289 973786239 /nfs/dbraw/zinc/78/62/39/973786239.db2.gz FVDPTKBOICVNIL-MGCOHNPYSA-N -1 1 236.248 2.150 20 0 BEADMM C[C@H](OCC[P@](=O)([O-])O)c1ccccc1F ZINC001224604626 973796667 /nfs/dbraw/zinc/79/66/67/973796667.db2.gz FCCVWHKLPQSDHN-QMMMGPOBSA-N -1 1 248.190 2.081 20 0 BEADMM CSc1ccncc1[N-]C(=O)c1nocc1C ZINC001148912743 973899435 /nfs/dbraw/zinc/89/94/35/973899435.db2.gz QKYFVHBDIIBRRF-UHFFFAOYSA-N -1 1 249.295 2.352 20 0 BEADMM O=c1nc(NC/C=C\C2CC2)cc(Cl)[n-]1 ZINC001329753506 973918997 /nfs/dbraw/zinc/91/89/97/973918997.db2.gz IFNJEULWRQZHIZ-UPHRSURJSA-N -1 1 225.679 2.214 20 0 BEADMM CCO/C=C\C(=O)Nc1cccc(F)c1[O-] ZINC001171637154 974133557 /nfs/dbraw/zinc/13/35/57/974133557.db2.gz LIOJCRJEXGUAFU-SREVYHEPSA-N -1 1 225.219 2.020 20 0 BEADMM C[C@H]1CC[C@H](Oc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001225763672 974673445 /nfs/dbraw/zinc/67/34/45/974673445.db2.gz BQUJCXUHSPXMPY-BQBZGAKWSA-N -1 1 226.301 2.038 20 0 BEADMM C[C@@H]1CC[C@@H](Oc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001225763675 974673931 /nfs/dbraw/zinc/67/39/31/974673931.db2.gz BQUJCXUHSPXMPY-RNFRBKRXSA-N -1 1 226.301 2.038 20 0 BEADMM C[C@@H](Oc1cccc2[nH]nnc21)C1=CC=C[CH]1 ZINC001225991137 974754560 /nfs/dbraw/zinc/75/45/60/974754560.db2.gz UXDIABBCDGJUSB-SECBINFHSA-N -1 1 226.259 2.426 20 0 BEADMM CCC[C@H](CC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226239746 974834701 /nfs/dbraw/zinc/83/47/01/974834701.db2.gz NTTAZDGZBOLLNO-VIFPVBQESA-N -1 1 238.287 2.342 20 0 BEADMM COc1c[n-]c(=O)nc1O[C@H]1CC[C@H](C)CC1 ZINC001226822718 975098166 /nfs/dbraw/zinc/09/81/66/975098166.db2.gz OYXXQXLYBQOXHT-KYZUINATSA-N -1 1 238.287 2.148 20 0 BEADMM CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]cc1OC ZINC001226828436 975107193 /nfs/dbraw/zinc/10/71/93/975107193.db2.gz QNHYZNAVTSIVAV-HTQZYQBOSA-N -1 1 226.276 2.004 20 0 BEADMM CC(C)=CC[C@H](NCc1cc(C)co1)C(=O)[O-] ZINC001332476024 975153404 /nfs/dbraw/zinc/15/34/04/975153404.db2.gz JFMICVAWXJMTJE-LBPRGKRZSA-N -1 1 237.299 2.487 20 0 BEADMM CCOc1cc([N-]c2conc2C)no1 ZINC001212719372 975172429 /nfs/dbraw/zinc/17/24/29/975172429.db2.gz JVXYAPHZBOSEGN-UHFFFAOYSA-N -1 1 209.205 2.113 20 0 BEADMM Cc1ccc([C@@H](C)Oc2cnc[n-]c2=O)cn1 ZINC001227048222 975232457 /nfs/dbraw/zinc/23/24/57/975232457.db2.gz AVHVBFIXEAUOFM-SECBINFHSA-N -1 1 231.255 2.026 20 0 BEADMM C[C@@H]1CC[C@@H](C)[C@H](Oc2cnc[n-]c2=O)C1 ZINC001227048332 975232696 /nfs/dbraw/zinc/23/26/96/975232696.db2.gz CYOFLOJSVLSZKH-OPRDCNLKSA-N -1 1 222.288 2.386 20 0 BEADMM CC[C@H](Oc1cnc[n-]c1=O)C(C)(C)C ZINC001227048227 975234241 /nfs/dbraw/zinc/23/42/41/975234241.db2.gz AVXCNGJHUUILTP-VIFPVBQESA-N -1 1 210.277 2.386 20 0 BEADMM CCC[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001333176527 975524380 /nfs/dbraw/zinc/52/43/80/975524380.db2.gz TUMOWSTXSUPVEG-LLVKDONJSA-N -1 1 248.282 2.171 20 0 BEADMM Cc1ccccc1Nc1c(N)[nH]c(=S)[n-]c1=O ZINC001173815976 975575409 /nfs/dbraw/zinc/57/54/09/975575409.db2.gz HMMZSILARZUVED-UHFFFAOYSA-N -1 1 248.311 2.105 20 0 BEADMM Nc1nonc1[N-]c1cccc(C(F)(F)F)c1 ZINC001173821607 975604620 /nfs/dbraw/zinc/60/46/20/975604620.db2.gz TXFYETUXZVIYIE-UHFFFAOYSA-N -1 1 244.176 2.414 20 0 BEADMM COc1cccc(OC)c1[N-]c1nnc(C)o1 ZINC001173922050 975901147 /nfs/dbraw/zinc/90/11/47/975901147.db2.gz LKLCUCRILVKEEV-UHFFFAOYSA-N -1 1 235.243 2.139 20 0 BEADMM CSc1nc(O[C@H]2C=CCCC2)cc(=O)[n-]1 ZINC001228091156 975902509 /nfs/dbraw/zinc/90/25/09/975902509.db2.gz VFQMAVCXFCSYAD-QMMMGPOBSA-N -1 1 238.312 2.392 20 0 BEADMM CSc1nc(O[C@H]2C=CCC2)cc(=O)[n-]1 ZINC001228093718 975902523 /nfs/dbraw/zinc/90/25/23/975902523.db2.gz CLYUJAVMXZIOHG-ZETCQYMHSA-N -1 1 224.285 2.002 20 0 BEADMM CSc1nc(O[C@@H]2C=CCC2)cc(=O)[n-]1 ZINC001228093716 975903810 /nfs/dbraw/zinc/90/38/10/975903810.db2.gz CLYUJAVMXZIOHG-SSDOTTSWSA-N -1 1 224.285 2.002 20 0 BEADMM Cc1nnc([N-]c2ccnc3ccccc23)o1 ZINC001174036785 976241553 /nfs/dbraw/zinc/24/15/53/976241553.db2.gz FNJKFVQYMQMTNX-UHFFFAOYSA-N -1 1 226.239 2.092 20 0 BEADMM COc1cncc([N-]c2nonc2C2CC2)c1 ZINC001174089329 976357891 /nfs/dbraw/zinc/35/78/91/976357891.db2.gz QLETWRUIKXPXIL-UHFFFAOYSA-N -1 1 232.243 2.094 20 0 BEADMM C[C@@H]1CCCC[C@H]1Oc1cnnc(=S)[n-]1 ZINC001228642377 976402743 /nfs/dbraw/zinc/40/27/43/976402743.db2.gz PCLLOYKZZVWYDH-HTQZYQBOSA-N -1 1 225.317 2.118 20 0 BEADMM [O-]c1cc(F)cc(F)c1Nc1cn[nH]c1 ZINC001174293575 976469066 /nfs/dbraw/zinc/46/90/66/976469066.db2.gz MGLXNHCZUDRYEN-UHFFFAOYSA-N -1 1 211.171 2.137 20 0 BEADMM [O-]c1cc(Nc2cn[nH]c2)cc(F)c1F ZINC001174296832 976483231 /nfs/dbraw/zinc/48/32/31/976483231.db2.gz XLIIGZBVDIBMHQ-UHFFFAOYSA-N -1 1 211.171 2.137 20 0 BEADMM Cn1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001174330320 976534969 /nfs/dbraw/zinc/53/49/69/976534969.db2.gz WTFOKXUTPNAJBW-UHFFFAOYSA-N -1 1 225.198 2.148 20 0 BEADMM Nc1nonc1[N-]c1ccc2occc2c1 ZINC001174419222 976666106 /nfs/dbraw/zinc/66/61/06/976666106.db2.gz HFHTTYPJWLIAGG-UHFFFAOYSA-N -1 1 216.200 2.142 20 0 BEADMM CCC(=O)c1ccc([O-])cc1OC1CN(CC)C1 ZINC001229474862 976874527 /nfs/dbraw/zinc/87/45/27/976874527.db2.gz LKWNGEVUGHZFTJ-UHFFFAOYSA-N -1 1 249.310 2.068 20 0 BEADMM COc1c(O[C@H]2CCC[C@@H]2C)nc(C)[n-]c1=O ZINC001230019649 977076688 /nfs/dbraw/zinc/07/66/88/977076688.db2.gz NITKMERPZSAFNA-CBAPKCEASA-N -1 1 238.287 2.067 20 0 BEADMM COc1c(O[C@H](C)C2CCC2)nc(C)[n-]c1=O ZINC001230020530 977079085 /nfs/dbraw/zinc/07/90/85/977079085.db2.gz CXUPRTCNIIQVHT-SSDOTTSWSA-N -1 1 238.287 2.067 20 0 BEADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])n(C)n1 ZINC001174828748 977085043 /nfs/dbraw/zinc/08/50/43/977085043.db2.gz FLMYHDFYMLDMOI-UHFFFAOYSA-N -1 1 239.225 2.456 20 0 BEADMM COc1nonc1[N-]c1cc(F)c(F)c(F)c1 ZINC001174955596 977187000 /nfs/dbraw/zinc/18/70/00/977187000.db2.gz PBRJXMUDVQAVKK-UHFFFAOYSA-N -1 1 245.160 2.239 20 0 BEADMM COc1cc(F)cc([N-]c2nnc(C)o2)c1 ZINC001175004850 977207738 /nfs/dbraw/zinc/20/77/38/977207738.db2.gz DBAHRDQKVQFCPD-UHFFFAOYSA-N -1 1 223.207 2.269 20 0 BEADMM Cc1ncn(C)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157189 977275100 /nfs/dbraw/zinc/27/51/00/977275100.db2.gz BJNRZHSZJCCMCA-UHFFFAOYSA-N -1 1 249.245 2.309 20 0 BEADMM COc1nonc1[N-]c1c2cn[nH]c2ccc1C ZINC001175526046 977502651 /nfs/dbraw/zinc/50/26/51/977502651.db2.gz RYZBYNNITOOQMW-UHFFFAOYSA-N -1 1 245.242 2.007 20 0 BEADMM O=C([O-])c1ccc(CN2CCC[C@@H]2CF)s1 ZINC001231466258 977597485 /nfs/dbraw/zinc/59/74/85/977597485.db2.gz PMBQOAMYZHIOQR-MRVPVSSYSA-N -1 1 243.303 2.380 20 0 BEADMM COC[C@H]1CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231735454 977716002 /nfs/dbraw/zinc/71/60/02/977716002.db2.gz QWCCEIPSCHDFBY-SNVBAGLBSA-N -1 1 241.718 2.266 20 0 BEADMM CN(CCF)Cc1ccc(Cl)c([O-])c1 ZINC001231735272 977721053 /nfs/dbraw/zinc/72/10/53/977721053.db2.gz MUHJNIUHGLIIOS-UHFFFAOYSA-N -1 1 217.671 2.447 20 0 BEADMM O=C([O-])c1cc(Nc2ccncc2)cs1 ZINC001176436256 978063712 /nfs/dbraw/zinc/06/37/12/978063712.db2.gz IRFVSQJGCFKLKV-UHFFFAOYSA-N -1 1 220.253 2.007 20 0 BEADMM Cc1noc([N-][C@@H]2COc3ccc(C)cc32)n1 ZINC001337072052 978153964 /nfs/dbraw/zinc/15/39/64/978153964.db2.gz BEFALCDBAKFJAM-SNVBAGLBSA-N -1 1 231.255 2.232 20 0 BEADMM Cn1cnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176661862 978156290 /nfs/dbraw/zinc/15/62/90/978156290.db2.gz FBLDCXTXBYOADB-UHFFFAOYSA-N -1 1 243.188 2.287 20 0 BEADMM CCCC1(CNC(=O)c2ccc([O-])cn2)CCC1 ZINC001595952643 978158915 /nfs/dbraw/zinc/15/89/15/978158915.db2.gz LYZCWLYWXDALNY-UHFFFAOYSA-N -1 1 248.326 2.487 20 0 BEADMM O=C([O-])c1ccc(Nc2ccnc(CO)c2)cc1 ZINC001176710544 978174768 /nfs/dbraw/zinc/17/47/68/978174768.db2.gz SHJLQTGJADLJQJ-UHFFFAOYSA-N -1 1 244.250 2.016 20 0 BEADMM [O-]c1cccc(CN2CCCO2)c1Cl ZINC001232784629 978275455 /nfs/dbraw/zinc/27/54/55/978275455.db2.gz RESNTVIWZHWMOA-UHFFFAOYSA-N -1 1 213.664 2.183 20 0 BEADMM Cc1cccc(NC(=O)c2ccc([O-])cn2)c1O 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352774654 /nfs/dbraw/zinc/77/46/54/352774654.db2.gz FOQPHOQYOGIKRN-SNVBAGLBSA-N -1 1 236.315 2.212 20 0 BEADMM Cc1ncoc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334216879 352817177 /nfs/dbraw/zinc/81/71/77/352817177.db2.gz GNYJPEKBTQSPQD-UHFFFAOYSA-N -1 1 236.202 2.080 20 0 BEADMM [O-]c1cccc(CN2CC(F)C2)c1Cl ZINC000334423790 353102644 /nfs/dbraw/zinc/10/26/44/353102644.db2.gz FZZDPTQVWHUJAW-UHFFFAOYSA-N -1 1 215.655 2.199 20 0 BEADMM CC(C)(CCNC(=O)c1cncc([O-])c1)C1CC1 ZINC000294016726 188096371 /nfs/dbraw/zinc/09/63/71/188096371.db2.gz BVJBEOUBTGXDLT-UHFFFAOYSA-N -1 1 248.326 2.343 20 0 BEADMM CC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(N)=O ZINC000330682398 353177600 /nfs/dbraw/zinc/17/76/00/353177600.db2.gz QCFGAHKBKWFZTO-SSDOTTSWSA-N -1 1 241.316 2.205 20 0 BEADMM Cc1ccc2nc(-c3cccnc3)[n-]c(=O)c2c1 ZINC000038525111 358484876 /nfs/dbraw/zinc/48/48/76/358484876.db2.gz AZNMJNJPHHDSKV-UHFFFAOYSA-N -1 1 237.262 2.294 20 0 BEADMM Cc1cc(C(=O)Nc2ccncc2[O-])sc1C ZINC000345385081 354647019 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CC(C)(F)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000631407048 372341746 /nfs/dbraw/zinc/34/17/46/372341746.db2.gz YKHUYFJUZNXCLW-UHFFFAOYSA-N -1 1 243.229 2.139 20 0 BEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC=CCC1 ZINC000038283752 372530155 /nfs/dbraw/zinc/53/01/55/372530155.db2.gz OCMPYMWRYHCKFR-QMMMGPOBSA-N -1 1 207.195 2.164 20 0 BEADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1C(F)F ZINC000633236037 373384126 /nfs/dbraw/zinc/38/41/26/373384126.db2.gz IMOVMADHQSFBPF-SECBINFHSA-N -1 1 245.200 2.011 20 0 BEADMM CC(C)(F)CNC(=O)c1cc(F)ccc1[O-] ZINC000633721256 373709945 /nfs/dbraw/zinc/70/99/45/373709945.db2.gz ZYXLFEJWGNIYNQ-UHFFFAOYSA-N -1 1 229.226 2.009 20 0 BEADMM CCc1ccc(C(=O)Nc2cc(C)[nH]n2)c([O-])c1 ZINC000190472809 205896090 /nfs/dbraw/zinc/89/60/90/205896090.db2.gz CMAGCLVNEUJKAP-UHFFFAOYSA-N -1 1 245.282 2.238 20 0 BEADMM O=C(N[C@H]1CC12CCCCC2)c1ncccc1[O-] ZINC000181488353 182326290 /nfs/dbraw/zinc/32/62/90/182326290.db2.gz HTHLGQMXZLPGMV-NSHDSACASA-N -1 1 246.310 2.240 20 0 BEADMM O=C([N-]c1cc(F)cc(F)c1F)c1ccon1 ZINC000336472746 182350391 /nfs/dbraw/zinc/35/03/91/182350391.db2.gz FFSSEAFDYVSKKA-UHFFFAOYSA-N -1 1 242.156 2.344 20 0 BEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCO1 ZINC000082192551 182359662 /nfs/dbraw/zinc/35/96/62/182359662.db2.gz CBYLWNOXPAVYMG-JTQLQIEISA-N -1 1 241.674 2.163 20 0 BEADMM CCCN(CC(C)C)C(=O)c1ncccc1[O-] ZINC000263696101 169105960 /nfs/dbraw/zinc/10/59/60/169105960.db2.gz RGGQUWBKGBGRAD-UHFFFAOYSA-N -1 1 236.315 2.295 20 0 BEADMM O=c1cc(C(F)F)nc(S[C@@H]2CCOC2)[n-]1 ZINC000289612387 183256359 /nfs/dbraw/zinc/25/63/59/183256359.db2.gz UMFOFGUJBQVHAO-RXMQYKEDSA-N -1 1 248.254 2.001 20 0 BEADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087777712 383863577 /nfs/dbraw/zinc/86/35/77/383863577.db2.gz CDTNUHJDQCGPRF-GWCFXTLKSA-N -1 1 246.310 2.192 20 0 BEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000087777631 383864502 /nfs/dbraw/zinc/86/45/02/383864502.db2.gz PHILZQVZUNWZFX-GHMZBOCLSA-N -1 1 246.310 2.192 20 0 BEADMM C[C@@H](Cc1cccs1)[N-]C(=O)C(F)(F)F ZINC000112021309 383891868 /nfs/dbraw/zinc/89/18/68/383891868.db2.gz LNTFRQJYFKWNJM-LURJTMIESA-N -1 1 237.246 2.358 20 0 BEADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000336447018 383903466 /nfs/dbraw/zinc/90/34/66/383903466.db2.gz PZMRPJFQEAWAOY-PHIMTYICSA-N -1 1 248.326 2.214 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC000050566603 384083547 /nfs/dbraw/zinc/08/35/47/384083547.db2.gz GZWSIRGALZWPJX-ZJUUUORDSA-N -1 1 234.299 2.048 20 0 BEADMM Cc1cnc(C(=O)N2CCCC23CCC3)c([O-])c1 ZINC000333414464 384274215 /nfs/dbraw/zinc/27/42/15/384274215.db2.gz DTRBWKDLTDVPJN-UHFFFAOYSA-N -1 1 246.310 2.254 20 0 BEADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1c([O-])cccc1F ZINC000335493723 384299452 /nfs/dbraw/zinc/29/94/52/384299452.db2.gz FSWDDHBNPYGKQT-AYMMMOKOSA-N -1 1 235.258 2.060 20 0 BEADMM C[C@]1(NC(=O)c2cncc([O-])c2)CC=CCC1 ZINC000335576810 384336523 /nfs/dbraw/zinc/33/65/23/384336523.db2.gz BANJYXWJLYOORE-ZDUSSCGKSA-N -1 1 232.283 2.016 20 0 BEADMM CC(C)C[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000120971746 384391957 /nfs/dbraw/zinc/39/19/57/384391957.db2.gz XHDMXTPJCCWSTO-SECBINFHSA-N -1 1 246.314 2.122 20 0 BEADMM CC[N@@H+](CC(=O)Nc1ccc(C)cc1O)C1CC1 ZINC000135926278 384473516 /nfs/dbraw/zinc/47/35/16/384473516.db2.gz VSIWHFHAYXIKAD-UHFFFAOYSA-N -1 1 248.326 2.123 20 0 BEADMM CC(F)(F)CCNC(=O)c1c([O-])cccc1F ZINC000294199321 384530484 /nfs/dbraw/zinc/53/04/84/384530484.db2.gz LSNRTIBVAGKWKG-UHFFFAOYSA-N -1 1 247.216 2.306 20 0 BEADMM O=C(c1ncccc1[O-])N1CCC[C@H]1C1CCC1 ZINC000126099846 384773584 /nfs/dbraw/zinc/77/35/84/384773584.db2.gz SZEWXCKKQLCNDS-NSHDSACASA-N -1 1 246.310 2.192 20 0 BEADMM Cc1cncc(NC(=O)c2ccccc2[O-])c1 ZINC000176725245 384763889 /nfs/dbraw/zinc/76/38/89/384763889.db2.gz BVNFWWFXYCHXIK-UHFFFAOYSA-N -1 1 228.251 2.348 20 0 BEADMM CN(CC1CCCC1)C(=O)c1cncc([O-])c1 ZINC000104419401 384828953 /nfs/dbraw/zinc/82/89/53/384828953.db2.gz NMJOIGVNRKBEGX-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C1CC1 ZINC000163636719 384836702 /nfs/dbraw/zinc/83/67/02/384836702.db2.gz WZNLCVVIDZUSMY-SSDOTTSWSA-N -1 1 223.247 2.060 20 0 BEADMM C[C@@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)C1CC1 ZINC000175304998 384889021 /nfs/dbraw/zinc/88/90/21/384889021.db2.gz FLEJDPDKHCFMQR-SSDOTTSWSA-N -1 1 246.270 2.049 20 0 BEADMM Cc1ccc(F)c(NC(=O)c2cncc([O-])c2)c1 ZINC000109040666 384933735 /nfs/dbraw/zinc/93/37/35/384933735.db2.gz JIAKNYPYZJCEMA-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CCC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000109040790 384934828 /nfs/dbraw/zinc/93/48/28/384934828.db2.gz WJQIBJYYZHTTFB-UHFFFAOYSA-N -1 1 234.299 2.049 20 0 BEADMM CCO[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000058647755 385018208 /nfs/dbraw/zinc/01/82/08/385018208.db2.gz AZTBCQZDRZVZSR-GFCCVEGCSA-N -1 1 219.284 2.174 20 0 BEADMM COC(=O)c1c[n-]c(SCCCSC)n1 ZINC000187585226 384962675 /nfs/dbraw/zinc/96/26/75/384962675.db2.gz ASAADMAHTVETPV-UHFFFAOYSA-N -1 1 246.357 2.042 20 0 BEADMM COC(=O)c1c[n-]c(SCC2CCCC2)n1 ZINC000193538858 385401459 /nfs/dbraw/zinc/40/14/59/385401459.db2.gz BNWVRQYPPQTWIV-UHFFFAOYSA-N -1 1 240.328 2.479 20 0 BEADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCOC2)n1 ZINC000194967679 385455302 /nfs/dbraw/zinc/45/53/02/385455302.db2.gz ZXEYVABYNMLWRD-SECBINFHSA-N -1 1 240.328 2.016 20 0 BEADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000280847898 385609411 /nfs/dbraw/zinc/60/94/11/385609411.db2.gz VVDWSZGLDNVVIR-LURJTMIESA-N -1 1 241.237 2.199 20 0 BEADMM Cc1ccsc1CNC(=O)c1ncccc1[O-] ZINC000111542745 385674159 /nfs/dbraw/zinc/67/41/59/385674159.db2.gz JQXRHGWUCSOYQZ-UHFFFAOYSA-N -1 1 248.307 2.087 20 0 BEADMM CN(Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000062751187 385775627 /nfs/dbraw/zinc/77/56/27/385775627.db2.gz GUDZOYWEQINRQP-UHFFFAOYSA-N -1 1 223.247 2.118 20 0 BEADMM Cc1nc(=NOCC(C)C)cc(Cl)[n-]1 ZINC000271059516 385778014 /nfs/dbraw/zinc/77/80/14/385778014.db2.gz SBFNOFAPKOQJJW-UHFFFAOYSA-N -1 1 215.684 2.438 20 0 BEADMM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(SC)n[nH]1 ZINC000272467183 385905379 /nfs/dbraw/zinc/90/53/79/385905379.db2.gz DEUAEDZSDHLGHQ-RQJHMYQMSA-N -1 1 242.348 2.147 20 0 BEADMM CCC[C@@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816377 385868938 /nfs/dbraw/zinc/86/89/38/385868938.db2.gz HHIRWMMUVHQRST-SSDOTTSWSA-N -1 1 225.292 2.189 20 0 BEADMM FC(F)c1nnc([N-]Cc2ccco2)o1 ZINC000189277603 385972328 /nfs/dbraw/zinc/97/23/28/385972328.db2.gz GBFJZPLPBGFFMU-UHFFFAOYSA-N -1 1 215.159 2.212 20 0 BEADMM CN(CC(C)(C)C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287206997 386103849 /nfs/dbraw/zinc/10/38/49/386103849.db2.gz AGLFDQIVSRNPRS-UHFFFAOYSA-N -1 1 249.310 2.079 20 0 BEADMM Cc1cc(N(C)CC(=O)[O-])c2cc(F)ccc2n1 ZINC000347218604 386286654 /nfs/dbraw/zinc/28/66/54/386286654.db2.gz AHMXCUFUBNIRAR-UHFFFAOYSA-N -1 1 248.257 2.203 20 0 BEADMM CCC1(CC)CN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000334482814 386314520 /nfs/dbraw/zinc/31/45/20/386314520.db2.gz YBKCNCMIOACOLQ-UHFFFAOYSA-N -1 1 248.326 2.358 20 0 BEADMM CO[C@@H](C)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000277488442 386441061 /nfs/dbraw/zinc/44/10/61/386441061.db2.gz CJWNAIQLQPCEEB-ZETCQYMHSA-N -1 1 240.328 2.187 20 0 BEADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H]2CC)n1 ZINC000336707428 386411709 /nfs/dbraw/zinc/41/17/09/386411709.db2.gz ORZVITLARAPISV-LLVKDONJSA-N -1 1 235.331 2.119 20 0 BEADMM CCc1cc(=O)[n-]c(SC[C@@H](CC)OC)n1 ZINC000416909548 386413590 /nfs/dbraw/zinc/41/35/90/386413590.db2.gz QMHZPFKJFRMFEE-SECBINFHSA-N -1 1 242.344 2.262 20 0 BEADMM Cc1noc(C)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000299685154 386480254 /nfs/dbraw/zinc/48/02/54/386480254.db2.gz LZKFKJYDEHXIPS-UHFFFAOYSA-N -1 1 247.254 2.409 20 0 BEADMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000457297287 386630734 /nfs/dbraw/zinc/63/07/34/386630734.db2.gz SHIVQOUOVVTRSV-GXTWGEPZSA-N -1 1 248.326 2.342 20 0 BEADMM O=C(CC1CC1)Nc1nc(Cl)ccc1[O-] ZINC000279637676 386714027 /nfs/dbraw/zinc/71/40/27/386714027.db2.gz CHVDBTYVCAWBLY-UHFFFAOYSA-N -1 1 226.663 2.179 20 0 BEADMM COC(=O)c1c[n-]c(SCCC2CC2)n1 ZINC000340707341 386746525 /nfs/dbraw/zinc/74/65/25/386746525.db2.gz DPECCOSXZRRCEI-UHFFFAOYSA-N -1 1 226.301 2.089 20 0 BEADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])nc1 ZINC000192920785 386795822 /nfs/dbraw/zinc/79/58/22/386795822.db2.gz MDOZJQDOCOPRBM-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM CN(CCF)Cc1cccc([O-])c1Cl ZINC000293633033 386850952 /nfs/dbraw/zinc/85/09/52/386850952.db2.gz LOFMWBVGYQIRBS-UHFFFAOYSA-N -1 1 217.671 2.447 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293784873 386879864 /nfs/dbraw/zinc/87/98/64/386879864.db2.gz OCTQGDLLAIIGRM-SNVBAGLBSA-N -1 1 219.284 2.248 20 0 BEADMM C[C@H](C(=O)[N-]OCC1CC1)c1cccc(F)c1 ZINC000293818313 386884418 /nfs/dbraw/zinc/88/44/18/386884418.db2.gz RGSMCBSSACEOKJ-VIFPVBQESA-N -1 1 237.274 2.387 20 0 BEADMM CC1(F)CC(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000334846818 386895119 /nfs/dbraw/zinc/89/51/19/386895119.db2.gz QUEGRVQUAANCDE-UHFFFAOYSA-N -1 1 241.237 2.152 20 0 BEADMM CCCCN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000330885920 386908710 /nfs/dbraw/zinc/90/87/10/386908710.db2.gz RCHRTFFUGAWCTK-UHFFFAOYSA-N -1 1 236.315 2.358 20 0 BEADMM CCC1(NC(=O)c2ncc(C)cc2[O-])CCC1 ZINC000332462016 386982496 /nfs/dbraw/zinc/98/24/96/386982496.db2.gz PSHMIBHIBIUXCF-UHFFFAOYSA-N -1 1 234.299 2.158 20 0 BEADMM Cc1cnc(C(=O)NCCCC(C)C)c([O-])c1 ZINC000358602405 386987803 /nfs/dbraw/zinc/98/78/03/386987803.db2.gz OTFKSFKDNUXQIN-UHFFFAOYSA-N -1 1 236.315 2.262 20 0 BEADMM Cc1cc(-c2nc3cc(F)ccc3c(=O)[n-]2)no1 ZINC000358842072 387022697 /nfs/dbraw/zinc/02/26/97/387022697.db2.gz PGEXQZHPTIUADN-UHFFFAOYSA-N -1 1 245.213 2.438 20 0 BEADMM CN(Cc1cccs1)C(=O)c1ncccc1[O-] ZINC000037760711 387567443 /nfs/dbraw/zinc/56/74/43/387567443.db2.gz DVEBDCOQJYPNCB-UHFFFAOYSA-N -1 1 248.307 2.121 20 0 BEADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000452532859 387851387 /nfs/dbraw/zinc/85/13/87/387851387.db2.gz RWLHBYYQQCQRFX-MNOVXSKESA-N -1 1 248.326 2.343 20 0 BEADMM CC[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000079055475 387938965 /nfs/dbraw/zinc/93/89/65/387938965.db2.gz BTINMXWHTVZUSF-NSHDSACASA-N -1 1 248.326 2.440 20 0 BEADMM Cc1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000082305880 388025942 /nfs/dbraw/zinc/02/59/42/388025942.db2.gz NLFLXEVWBAQLES-UHFFFAOYSA-N -1 1 242.278 2.026 20 0 BEADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000082321308 388029188 /nfs/dbraw/zinc/02/91/88/388029188.db2.gz GGJKXAQJLYOCQX-UHFFFAOYSA-N -1 1 228.251 2.348 20 0 BEADMM CC[C@@H](F)CSc1nc(C(=O)OC)c[n-]1 ZINC000440585493 388056667 /nfs/dbraw/zinc/05/66/67/388056667.db2.gz SFVBRNDQPABNHK-ZCFIWIBFSA-N -1 1 232.280 2.037 20 0 BEADMM O=C([O-])[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000086726300 388108404 /nfs/dbraw/zinc/10/84/04/388108404.db2.gz DQYARXAFHFQKNI-LBPRGKRZSA-N -1 1 245.278 2.482 20 0 BEADMM [O-]c1cccc(CN2CCO[C@@H]3C[C@@H]32)c1Cl ZINC000646206694 388164072 /nfs/dbraw/zinc/16/40/72/388164072.db2.gz MGQGEXCXCOMULP-GXSJLCMTSA-N -1 1 239.702 2.019 20 0 BEADMM CC[C@@H](C)CNC(=O)c1c([O-])cccc1F ZINC000233857873 388349526 /nfs/dbraw/zinc/34/95/26/388349526.db2.gz WECYWUMOJYLRER-MRVPVSSYSA-N -1 1 225.263 2.307 20 0 BEADMM CCc1oc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1C ZINC000646411401 388352732 /nfs/dbraw/zinc/35/27/32/388352732.db2.gz FFLVOOBALQTBQF-UHFFFAOYSA-N -1 1 249.270 2.140 20 0 BEADMM Cc1cscc1NC(=O)c1cncc([O-])c1 ZINC000335912003 388454906 /nfs/dbraw/zinc/45/49/06/388454906.db2.gz BDEODRLYEOAFTK-UHFFFAOYSA-N -1 1 234.280 2.409 20 0 BEADMM C[C@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Cl ZINC000165967954 388413610 /nfs/dbraw/zinc/41/36/10/388413610.db2.gz CHNFQODLGYSOOG-SSDOTTSWSA-N -1 1 245.681 2.384 20 0 BEADMM O=C(NCC[C@@H]1CC=CCC1)c1cncc([O-])c1 ZINC000529866931 388593587 /nfs/dbraw/zinc/59/35/87/388593587.db2.gz MULKWQOHCHPMLO-LLVKDONJSA-N -1 1 246.310 2.263 20 0 BEADMM COC1(CSc2ncc(C)c(=O)[n-]2)CCC1 ZINC000565242907 388930777 /nfs/dbraw/zinc/93/07/77/388930777.db2.gz UHRJPZRWMKHLFJ-UHFFFAOYSA-N -1 1 240.328 2.152 20 0 BEADMM O=C(c1cc(F)ccc1[O-])N1CC(C2CCC2)C1 ZINC000335774819 133900003 /nfs/dbraw/zinc/90/00/03/133900003.db2.gz WBRQPPRQLXXSJQ-UHFFFAOYSA-N -1 1 249.285 2.403 20 0 BEADMM O=C(NC1(C(F)F)CC1)c1ccc([O-])cc1F ZINC000336143641 134101503 /nfs/dbraw/zinc/10/15/03/134101503.db2.gz KCTXVIUHQSCLAQ-UHFFFAOYSA-N -1 1 245.200 2.059 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000251584936 135072717 /nfs/dbraw/zinc/07/27/17/135072717.db2.gz CCSZDVDQIIKZNJ-VWYCJHECSA-N -1 1 248.326 2.342 20 0 BEADMM CCC[C@@H](Nc1cc(C)ccn1)C(=O)[O-] ZINC000263554695 135360332 /nfs/dbraw/zinc/36/03/32/135360332.db2.gz NNONAPNIWYCKCB-SECBINFHSA-N -1 1 208.261 2.055 20 0 BEADMM O=C(NCC(F)F)c1ccc(Cl)cc1[O-] ZINC000098003084 135633136 /nfs/dbraw/zinc/63/31/36/135633136.db2.gz LJZNAYQEFFETNK-UHFFFAOYSA-N -1 1 235.617 2.041 20 0 BEADMM CC[C@@H]1CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000335558701 136100387 /nfs/dbraw/zinc/10/03/87/136100387.db2.gz NIVIDCFRHVYQRK-SSDOTTSWSA-N -1 1 241.237 2.295 20 0 BEADMM CC(C)c1occc1C(=O)Nc1c[n-][nH]c1=O ZINC001651044570 1172918614 /nfs/dbraw/zinc/91/86/14/1172918614.db2.gz PHSVPXOHSJIYAU-UHFFFAOYSA-N -1 1 235.243 2.084 20 0 BEADMM CC(C)c1cccc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001651044396 1172919475 /nfs/dbraw/zinc/91/94/75/1172919475.db2.gz HGNQZBZXOPCTCD-UHFFFAOYSA-N -1 1 245.282 2.491 20 0 BEADMM Cc1ccccc1[C@@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000660848909 409861062 /nfs/dbraw/zinc/86/10/62/409861062.db2.gz RNNXFGGTCMOLFR-SNVBAGLBSA-N -1 1 247.298 2.277 20 0 BEADMM CCCn1[n-]c(-c2ccccc2)c(C)c1=O ZINC000128141746 409927441 /nfs/dbraw/zinc/92/74/41/409927441.db2.gz SDSVARYZMJADTR-JTQLQIEISA-N -1 1 216.284 2.279 20 0 BEADMM CC(C)[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181049164 167378470 /nfs/dbraw/zinc/37/84/70/167378470.db2.gz LBVFVNCMKIWWGO-MRVPVSSYSA-N -1 1 225.263 2.306 20 0 BEADMM CC1=CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000230812792 168098537 /nfs/dbraw/zinc/09/85/37/168098537.db2.gz PLZQQMWSXHGVEF-UHFFFAOYSA-N -1 1 235.258 2.324 20 0 BEADMM CC1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000358606912 168150844 /nfs/dbraw/zinc/15/08/44/168150844.db2.gz XQPNCMYSRNMZEG-UHFFFAOYSA-N -1 1 248.326 2.486 20 0 BEADMM CC1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000104416657 168155510 /nfs/dbraw/zinc/15/55/10/168155510.db2.gz MFMLFDLUBDZAGV-UHFFFAOYSA-N -1 1 248.326 2.343 20 0 BEADMM CC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000181040123 168176711 /nfs/dbraw/zinc/17/67/11/168176711.db2.gz VDIQUNHHSXGULC-UHFFFAOYSA-N -1 1 237.274 2.403 20 0 BEADMM CCC(=O)[C@@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000331230760 168253043 /nfs/dbraw/zinc/25/30/43/168253043.db2.gz QAYGWOJALLNGMD-SSDOTTSWSA-N -1 1 240.328 2.204 20 0 BEADMM CCC(C)(C)N=c1nc([C@H](C)OC)[n-]s1 ZINC000336696723 168288874 /nfs/dbraw/zinc/28/88/74/168288874.db2.gz OEYIXTIWHPVOFB-ZETCQYMHSA-N -1 1 229.349 2.268 20 0 BEADMM CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301359598 170172666 /nfs/dbraw/zinc/17/26/66/170172666.db2.gz LQLGLPZSEFURAY-UHFFFAOYSA-N -1 1 244.298 2.293 20 0 BEADMM CCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879651 170349485 /nfs/dbraw/zinc/34/94/85/170349485.db2.gz GRIAISSGDXXRMV-UHFFFAOYSA-N -1 1 229.663 2.021 20 0 BEADMM CC1(C)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000665643104 411718123 /nfs/dbraw/zinc/71/81/23/411718123.db2.gz DUQNAKZWIORIJV-JTQLQIEISA-N -1 1 223.247 2.060 20 0 BEADMM CCN(Cc1sc(C)nc1C)[C@@H](C)C(=O)[O-] ZINC000662216569 412029640 /nfs/dbraw/zinc/02/96/40/412029640.db2.gz PWHJHQMVFPNTTI-QMMMGPOBSA-N -1 1 242.344 2.055 20 0 BEADMM CC[C@@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000174752130 171198614 /nfs/dbraw/zinc/19/86/14/171198614.db2.gz FSIZNYNFJNQOLX-AWEZNQCLSA-N -1 1 248.326 2.440 20 0 BEADMM CC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181038566 171337293 /nfs/dbraw/zinc/33/72/93/171337293.db2.gz XLDVCVJZMIHSRM-ZETCQYMHSA-N -1 1 211.236 2.060 20 0 BEADMM CN(C(=O)c1ncccc1[O-])C1(C)CCCC1 ZINC000336423218 172348873 /nfs/dbraw/zinc/34/88/73/172348873.db2.gz YAIXNYAZBMCIAC-UHFFFAOYSA-N -1 1 234.299 2.192 20 0 BEADMM COC(C)(C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000279904307 173933914 /nfs/dbraw/zinc/93/39/14/173933914.db2.gz PDWRPBVRMIIDKM-UHFFFAOYSA-N -1 1 241.262 2.285 20 0 BEADMM COCCCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000330575636 174208404 /nfs/dbraw/zinc/20/84/04/174208404.db2.gz MMGZTYYWBHVHFF-UHFFFAOYSA-N -1 1 242.344 2.318 20 0 BEADMM COc1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000109889281 175246317 /nfs/dbraw/zinc/24/63/17/175246317.db2.gz VHVLDSWJPVDUPJ-UHFFFAOYSA-N -1 1 244.250 2.048 20 0 BEADMM C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000082312172 176010191 /nfs/dbraw/zinc/01/01/91/176010191.db2.gz LOFZFICIEIHKNN-SSDOTTSWSA-N -1 1 249.295 2.037 20 0 BEADMM C[C@@H]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000109041605 176095733 /nfs/dbraw/zinc/09/57/33/176095733.db2.gz CVMNZRXPKYLXAZ-SNVBAGLBSA-N -1 1 234.299 2.049 20 0 BEADMM C[C@@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111738934 176143444 /nfs/dbraw/zinc/14/34/44/176143444.db2.gz LMDOXXPVYTZRKH-KOLCDFICSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000294911851 176306703 /nfs/dbraw/zinc/30/67/03/176306703.db2.gz NIKYQQMEJKRBNC-SECBINFHSA-N -1 1 241.718 2.266 20 0 BEADMM C[C@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000109040628 177087810 /nfs/dbraw/zinc/08/78/10/177087810.db2.gz WYZDLDCNJSEGIB-JOYOIKCWSA-N -1 1 234.299 2.096 20 0 BEADMM C[C@H]1CCCN1C(=O)c1c(F)ccc([O-])c1F ZINC000289238609 177108060 /nfs/dbraw/zinc/10/80/60/177108060.db2.gz DOSXHBQGDMKGCI-ZETCQYMHSA-N -1 1 241.237 2.295 20 0 BEADMM C[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072874577 177110632 /nfs/dbraw/zinc/11/06/32/177110632.db2.gz XXIRVRRTHHBQCO-QMMMGPOBSA-N -1 1 249.339 2.381 20 0 BEADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000280884008 177152869 /nfs/dbraw/zinc/15/28/69/177152869.db2.gz CRQADWYSIUFCQE-ZETCQYMHSA-N -1 1 241.237 2.152 20 0 BEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000273639215 177155929 /nfs/dbraw/zinc/15/59/29/177155929.db2.gz RQEMZYBSACQPOK-JTQLQIEISA-N -1 1 248.326 2.295 20 0 BEADMM C[C@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000088707558 177197968 /nfs/dbraw/zinc/19/79/68/177197968.db2.gz FKUTUGDDAXNDIF-UWVGGRQHSA-N -1 1 234.299 2.048 20 0 BEADMM C[C@@H]1[C@@H](C)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000294241008 177225240 /nfs/dbraw/zinc/22/52/40/177225240.db2.gz SCKLQNBPRWCRGN-NKWVEPMBSA-N -1 1 241.237 2.151 20 0 BEADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000294241003 177225524 /nfs/dbraw/zinc/22/55/24/177225524.db2.gz SCKLQNBPRWCRGN-BQBZGAKWSA-N -1 1 241.237 2.151 20 0 BEADMM Cc1cnc(C(=O)NC[C@H]2CC=CCC2)c([O-])c1 ZINC000495119644 226276965 /nfs/dbraw/zinc/27/69/65/226276965.db2.gz GZOIMFUZLUCHAL-NSHDSACASA-N -1 1 246.310 2.182 20 0 BEADMM Cc1csc(CN(CCC(=O)[O-])C(C)C)n1 ZINC000087393052 487651974 /nfs/dbraw/zinc/65/19/74/487651974.db2.gz NZRRAEZZEHICNL-UHFFFAOYSA-N -1 1 242.344 2.137 20 0 BEADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cncc([O-])c1 ZINC000308727388 229245707 /nfs/dbraw/zinc/24/57/07/229245707.db2.gz NCOONTKVYSNMCF-IINYFYTJSA-N -1 1 248.326 2.486 20 0 BEADMM CO[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278256492 487682454 /nfs/dbraw/zinc/68/24/54/487682454.db2.gz UIOCASKLUQCLEF-ZCFIWIBFSA-N -1 1 238.218 2.289 20 0 BEADMM CCCCN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681016959 487695650 /nfs/dbraw/zinc/69/56/50/487695650.db2.gz QWZSGITZMUMZCK-UHFFFAOYSA-N -1 1 225.263 2.403 20 0 BEADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017845 487696329 /nfs/dbraw/zinc/69/63/29/487696329.db2.gz DPYQYHUVTBCHCR-QMMMGPOBSA-N -1 1 237.274 2.402 20 0 BEADMM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681019922 487697375 /nfs/dbraw/zinc/69/73/75/487697375.db2.gz NSFLMAIBJNHEPS-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CN(Cc1ccoc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681021580 487698445 /nfs/dbraw/zinc/69/84/45/487698445.db2.gz ORXYDQBYLBGCNL-UHFFFAOYSA-N -1 1 249.241 2.397 20 0 BEADMM CCCN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681036492 487702973 /nfs/dbraw/zinc/70/29/73/487702973.db2.gz FKJLDJYZBUAWJG-UHFFFAOYSA-N -1 1 211.236 2.013 20 0 BEADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681037337 487702569 /nfs/dbraw/zinc/70/25/69/487702569.db2.gz BIWHSFZUZYHLPN-MRVPVSSYSA-N -1 1 223.247 2.013 20 0 BEADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681050209 487703451 /nfs/dbraw/zinc/70/34/51/487703451.db2.gz XSFJPYNSLRCNPQ-RKDXNWHRSA-N -1 1 237.274 2.402 20 0 BEADMM CC1(C)C[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681046714 487706108 /nfs/dbraw/zinc/70/61/08/487706108.db2.gz PIABLURBXMQZFV-SECBINFHSA-N -1 1 237.274 2.307 20 0 BEADMM C[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681051910 487706631 /nfs/dbraw/zinc/70/66/31/487706631.db2.gz JLADUUPIEWOXEM-QMMMGPOBSA-N -1 1 223.247 2.156 20 0 BEADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H]1C ZINC000681051884 487706686 /nfs/dbraw/zinc/70/66/86/487706686.db2.gz IYJGMQBMVGVEIP-DTORHVGOSA-N -1 1 237.274 2.259 20 0 BEADMM CC[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054327 487707799 /nfs/dbraw/zinc/70/77/99/487707799.db2.gz MYLRCXSZEZIRJF-VIFPVBQESA-N -1 1 237.274 2.403 20 0 BEADMM CCC1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681054907 487708247 /nfs/dbraw/zinc/70/82/47/487708247.db2.gz HINAMTHQZBMYOY-UHFFFAOYSA-N -1 1 237.274 2.451 20 0 BEADMM CCC[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000681709915 487847124 /nfs/dbraw/zinc/84/71/24/487847124.db2.gz QFZVAOKNSSHPMU-VIFPVBQESA-N -1 1 222.288 2.014 20 0 BEADMM CCc1c(C)[n-]n(-c2cc(C)ccn2)c1=O ZINC000109252752 487855421 /nfs/dbraw/zinc/85/54/21/487855421.db2.gz OHCJUKIPMKAZKQ-JTQLQIEISA-N -1 1 217.272 2.139 20 0 BEADMM Cc1[nH]nc(C(=O)Nc2ccc(F)cc2C)c1[O-] ZINC000676629991 487881652 /nfs/dbraw/zinc/88/16/52/487881652.db2.gz NDPOROKEOOXSJH-UHFFFAOYSA-N -1 1 249.245 2.124 20 0 BEADMM O=C([O-])c1ccc(CN2CC=CCC2)c(F)c1 ZINC000652393058 487943053 /nfs/dbraw/zinc/94/30/53/487943053.db2.gz WGEPVEYMEDYWAE-UHFFFAOYSA-N -1 1 235.258 2.286 20 0 BEADMM C[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000043115194 323258158 /nfs/dbraw/zinc/25/81/58/323258158.db2.gz WHKJBSZDQHLSRY-SFYZADRCSA-N -1 1 239.702 2.431 20 0 BEADMM C[C@H]1C[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000043115190 323258247 /nfs/dbraw/zinc/25/82/47/323258247.db2.gz WHKJBSZDQHLSRY-JGVFFNPUSA-N -1 1 239.702 2.431 20 0 BEADMM Cc1ccncc1NC(=O)c1ccc(O)cc1[O-] ZINC000105375200 323816233 /nfs/dbraw/zinc/81/62/33/323816233.db2.gz JSQMGHYEPJKWAN-UHFFFAOYSA-N -1 1 244.250 2.054 20 0 BEADMM Cc1nc(SCc2ccno2)[n-]c(=O)c1C ZINC000537414861 324068717 /nfs/dbraw/zinc/06/87/17/324068717.db2.gz VNUXQROQHNPXSO-UHFFFAOYSA-N -1 1 237.284 2.079 20 0 BEADMM Cc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)o1 ZINC000537603146 324084919 /nfs/dbraw/zinc/08/49/19/324084919.db2.gz UYQLPVJKFMMKFD-UHFFFAOYSA-N -1 1 242.234 2.197 20 0 BEADMM CC1(C)C[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000228849217 324194569 /nfs/dbraw/zinc/19/45/69/324194569.db2.gz KNOSXSZHIXVZCY-MRVPVSSYSA-N -1 1 237.274 2.307 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](C)c1ccco1 ZINC000529421611 324291717 /nfs/dbraw/zinc/29/17/17/324291717.db2.gz OADZKNONIXZQLB-ZETCQYMHSA-N -1 1 249.270 2.149 20 0 BEADMM O=C(CSc1cccnn1)c1ccc([O-])cc1 ZINC000543756410 325111140 /nfs/dbraw/zinc/11/11/40/325111140.db2.gz UQEQSMBFGUWEGN-UHFFFAOYSA-N -1 1 246.291 2.157 20 0 BEADMM Cc1cnc(CNCCCCCCC(=O)[O-])o1 ZINC001332010140 974918419 /nfs/dbraw/zinc/91/84/19/974918419.db2.gz AWVCJNIGQSYMAL-UHFFFAOYSA-N -1 1 240.303 2.108 20 0 BEADMM O=C(NCCc1ccco1)c1cc(F)ccc1[O-] ZINC000147656013 325767170 /nfs/dbraw/zinc/76/71/70/325767170.db2.gz SKAFMSSNPYHSNW-UHFFFAOYSA-N -1 1 249.241 2.097 20 0 BEADMM CC(C)CN(CCC(=O)[O-])Cc1nccs1 ZINC000566362027 326037584 /nfs/dbraw/zinc/03/75/84/326037584.db2.gz PBZCABCUHJPTJQ-UHFFFAOYSA-N -1 1 242.344 2.076 20 0 BEADMM O=C(N[C@H]1C=CCCC1)c1ccc([O-])cc1F ZINC000154983570 326177266 /nfs/dbraw/zinc/17/72/66/326177266.db2.gz KHSZBVWPGZMUIA-VIFPVBQESA-N -1 1 235.258 2.370 20 0 BEADMM Cc1cnc(SC[C@@H]2CC[C@@H](C)O2)[n-]c1=O ZINC000568883416 326381254 /nfs/dbraw/zinc/38/12/54/326381254.db2.gz IMSCFBBKKAADGJ-BDAKNGLRSA-N -1 1 240.328 2.150 20 0 BEADMM Cc1cnc(SC[C@H]2CC[C@@H](C)O2)[n-]c1=O ZINC000568883419 326381283 /nfs/dbraw/zinc/38/12/83/326381283.db2.gz IMSCFBBKKAADGJ-RKDXNWHRSA-N -1 1 240.328 2.150 20 0 BEADMM CCc1nc(SCCCOC)[n-]c(=O)c1C ZINC000573104271 326429818 /nfs/dbraw/zinc/42/98/18/326429818.db2.gz MJJRONGWJAFRKS-UHFFFAOYSA-N -1 1 242.344 2.182 20 0 BEADMM CC(C)CCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073974611 487985451 /nfs/dbraw/zinc/98/54/51/487985451.db2.gz KHZNOZQLOAWVHW-UHFFFAOYSA-N -1 1 248.286 2.439 20 0 BEADMM CC[C@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073974568 487985482 /nfs/dbraw/zinc/98/54/82/487985482.db2.gz BJTHGWVIBJIPAM-ZETCQYMHSA-N -1 1 234.259 2.049 20 0 BEADMM CCCN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000667552547 488042743 /nfs/dbraw/zinc/04/27/43/488042743.db2.gz KLHRSNWTQJHRBA-UHFFFAOYSA-N -1 1 244.294 2.422 20 0 BEADMM Cc1cccc(NCCCCC(=O)[O-])n1 ZINC000143079818 488053173 /nfs/dbraw/zinc/05/31/73/488053173.db2.gz GKQVSGPLABJQAA-UHFFFAOYSA-N -1 1 208.261 2.057 20 0 BEADMM Cc1cccnc1C(=O)Nc1c([O-])cccc1F ZINC000674267108 487544026 /nfs/dbraw/zinc/54/40/26/487544026.db2.gz WFBQQNJOMGTWLN-UHFFFAOYSA-N -1 1 246.241 2.487 20 0 BEADMM CC1(NC(=O)c2ccc([O-])c(F)c2)CC=CC1 ZINC000655223027 487547078 /nfs/dbraw/zinc/54/70/78/487547078.db2.gz LIPIJTHLXZHIGY-UHFFFAOYSA-N -1 1 235.258 2.370 20 0 BEADMM CCc1nsc([N-]c2cnn(CC3CC3)c2)n1 ZINC000678401200 488251379 /nfs/dbraw/zinc/25/13/79/488251379.db2.gz KPVGWLNDHWPXNX-UHFFFAOYSA-N -1 1 249.343 2.451 20 0 BEADMM CC[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000684802261 488344299 /nfs/dbraw/zinc/34/42/99/488344299.db2.gz BGIFFTXWGXTOSR-GMSGAONNSA-N -1 1 223.247 2.060 20 0 BEADMM O=C(Cc1ccncc1)Nc1c([O-])cccc1F ZINC000679445574 488352390 /nfs/dbraw/zinc/35/23/90/488352390.db2.gz RTCFVNRNUQHGNX-UHFFFAOYSA-N -1 1 246.241 2.108 20 0 BEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C1CCC1 ZINC000130777532 490453631 /nfs/dbraw/zinc/45/36/31/490453631.db2.gz LDVNFGFKZRVERC-MRVPVSSYSA-N -1 1 237.274 2.450 20 0 BEADMM CCn1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000335400215 535884762 /nfs/dbraw/zinc/88/47/62/535884762.db2.gz NOZWURBBKLXFCD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/45/71/586384571.db2.gz WOVSGMTVUKYCDI-UHFFFAOYSA-N -1 1 246.232 2.001 20 0 BEADMM CC(C)[C@@H](C)C(=O)[N-]Oc1ccccc1 ZINC000816684415 586756052 /nfs/dbraw/zinc/75/60/52/586756052.db2.gz AALOQXWBGOZHPG-SNVBAGLBSA-N -1 1 207.273 2.389 20 0 BEADMM C=C=CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000816699360 586758097 /nfs/dbraw/zinc/75/80/97/586758097.db2.gz JHJYKWCTBYKXML-UHFFFAOYSA-N -1 1 223.659 2.117 20 0 BEADMM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000817425299 586804447 /nfs/dbraw/zinc/80/44/47/586804447.db2.gz APYRKZWZGODTQK-NWDGAFQWSA-N -1 1 241.331 2.040 20 0 BEADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccsc1 ZINC000820402931 587046324 /nfs/dbraw/zinc/04/63/24/587046324.db2.gz PFBGYWCSKDQYBU-NSCUHMNNSA-N -1 1 249.295 2.137 20 0 BEADMM C/C=C/CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825028821 587299392 /nfs/dbraw/zinc/29/93/92/587299392.db2.gz KOUILGXPQBRYLE-NSCUHMNNSA-N -1 1 247.327 2.071 20 0 BEADMM C/C=C/CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825028821 587299394 /nfs/dbraw/zinc/29/93/94/587299394.db2.gz KOUILGXPQBRYLE-NSCUHMNNSA-N -1 1 247.327 2.071 20 0 BEADMM CCCC[C@@H](CC)Cn1ccnc1-c1nnn[n-]1 ZINC000825261094 587312015 /nfs/dbraw/zinc/31/20/15/587312015.db2.gz TWVOMRMKVOZUMI-SNVBAGLBSA-N -1 1 248.334 2.280 20 0 BEADMM CCCC[C@@H](CC)Cn1ccnc1-c1nn[n-]n1 ZINC000825261094 587312017 /nfs/dbraw/zinc/31/20/17/587312017.db2.gz TWVOMRMKVOZUMI-SNVBAGLBSA-N -1 1 248.334 2.280 20 0 BEADMM C[C@H](NCCN(C(=O)[O-])C1CC1)c1ccco1 ZINC000825496469 587321617 /nfs/dbraw/zinc/32/16/17/587321617.db2.gz RJQJNMBKUJRFKU-VIFPVBQESA-N -1 1 238.287 2.073 20 0 BEADMM Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000830471049 587553045 /nfs/dbraw/zinc/55/30/45/587553045.db2.gz DHSFKMPOSLEPMO-DGCLKSJQSA-N -1 1 248.326 2.398 20 0 BEADMM Cc1cccc(NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830521005 587555491 /nfs/dbraw/zinc/55/54/91/587555491.db2.gz ANOSDVCCPZYSED-LLVKDONJSA-N -1 1 249.314 2.192 20 0 BEADMM O=C([O-])[C@@]1(F)CCN(C/C=C\c2ccccc2)C1 ZINC000833174174 587700823 /nfs/dbraw/zinc/70/08/23/587700823.db2.gz CBVJHYBLPRPRHM-HJHHMULASA-N -1 1 249.285 2.198 20 0 BEADMM CCON(C(=O)c1cc(F)ccc1[O-])C(C)C ZINC000844078119 588160846 /nfs/dbraw/zinc/16/08/46/588160846.db2.gz PWSNFMRKCVJMFK-UHFFFAOYSA-N -1 1 241.262 2.333 20 0 BEADMM CCCO[N-]C(=O)[C@@H](C)c1ccsc1 ZINC000844086523 588164224 /nfs/dbraw/zinc/16/42/24/588164224.db2.gz LZRUCLFNFIQBOR-QMMMGPOBSA-N -1 1 213.302 2.309 20 0 BEADMM COC/C(C)=C\C(=O)Nc1c([O-])cccc1F ZINC000845887764 588249662 /nfs/dbraw/zinc/24/96/62/588249662.db2.gz YZQBADWVSWJLLJ-VURMDHGXSA-N -1 1 239.246 2.063 20 0 BEADMM CCSCSc1ncc(C)c(=O)[n-]1 ZINC000849903649 588509235 /nfs/dbraw/zinc/50/92/35/588509235.db2.gz ZVJSWKXOFMPRGA-UHFFFAOYSA-N -1 1 216.331 2.293 20 0 BEADMM C[C@@H](CC(=O)[N-]OCC(F)F)c1ccco1 ZINC000860812120 589121880 /nfs/dbraw/zinc/12/18/80/589121880.db2.gz QBDIATAUTNBPHS-ZETCQYMHSA-N -1 1 233.214 2.086 20 0 BEADMM CCOCc1nnc([N-]c2ccccc2)o1 ZINC000863981000 589332217 /nfs/dbraw/zinc/33/22/17/589332217.db2.gz SZKQFJKQWDEOCC-UHFFFAOYSA-N -1 1 219.244 2.350 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccncc1 ZINC000868523236 589562314 /nfs/dbraw/zinc/56/23/14/589562314.db2.gz UJQIHERPVSTVET-MNOVXSKESA-N -1 1 236.315 2.279 20 0 BEADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccncc1 ZINC000868523160 589562468 /nfs/dbraw/zinc/56/24/68/589562468.db2.gz UJQIHERPVSTVET-GHMZBOCLSA-N -1 1 236.315 2.279 20 0 BEADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccncc1 ZINC000869305995 589597367 /nfs/dbraw/zinc/59/73/67/589597367.db2.gz WHORUTVSTJMKGG-SNVBAGLBSA-N -1 1 234.299 2.033 20 0 BEADMM CCNC(=S)NCc1ccc([O-])c(Cl)c1 ZINC000871683672 589790126 /nfs/dbraw/zinc/79/01/26/589790126.db2.gz FPKKEULKFGBGGP-UHFFFAOYSA-N -1 1 244.747 2.030 20 0 BEADMM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1F ZINC000871940410 589835383 /nfs/dbraw/zinc/83/53/83/589835383.db2.gz IEHAUZVFOFPMEG-JTQLQIEISA-N -1 1 224.210 2.276 20 0 BEADMM CCCc1[n-]n(CC2CC2)c(=O)c1CC ZINC000871942678 589836703 /nfs/dbraw/zinc/83/67/03/589836703.db2.gz MRUNCWLJWAOPKN-JTQLQIEISA-N -1 1 208.305 2.421 20 0 BEADMM CCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1F ZINC000871946370 589838524 /nfs/dbraw/zinc/83/85/24/589838524.db2.gz AZQUJZZUAWGVET-LLVKDONJSA-N -1 1 236.246 2.146 20 0 BEADMM CCc1[n-]n(-c2cccc(F)c2)c(=O)c1F ZINC000871947027 589838555 /nfs/dbraw/zinc/83/85/55/589838555.db2.gz NCSWUBBXKSOBLK-SNVBAGLBSA-N -1 1 224.210 2.276 20 0 BEADMM CCc1[n-]n(-c2ccc(Cl)cn2)c(=O)c1F ZINC000871946426 589838684 /nfs/dbraw/zinc/83/86/84/589838684.db2.gz CKBIAVUNAIOYFC-SECBINFHSA-N -1 1 241.653 2.186 20 0 BEADMM C[C@H]1CCc2[n-]n(-c3cccc(Cl)n3)c(=O)c21 ZINC000871951017 589840085 /nfs/dbraw/zinc/84/00/85/589840085.db2.gz NBUYXSYLJVRYLF-CPCISQLKSA-N -1 1 249.701 2.484 20 0 BEADMM C[C@@H]1CCc2[n-]n(-c3cccnc3Cl)c(=O)c21 ZINC000871952573 589841109 /nfs/dbraw/zinc/84/11/09/589841109.db2.gz HEGHROVEOPPKOT-XCBNKYQSSA-N -1 1 249.701 2.484 20 0 BEADMM Cc1[n-]n(-c2cccnc2Cl)c(=O)c1C1CC1 ZINC000871952717 589841442 /nfs/dbraw/zinc/84/14/42/589841442.db2.gz MHRFXKYJIGEUBP-JTQLQIEISA-N -1 1 249.701 2.484 20 0 BEADMM CCc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1F ZINC000871954066 589842640 /nfs/dbraw/zinc/84/26/40/589842640.db2.gz JZAYTIZQDHUSFZ-SECBINFHSA-N -1 1 241.653 2.186 20 0 BEADMM COCCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871959190 589844328 /nfs/dbraw/zinc/84/43/28/589844328.db2.gz KXDRXRORTXYVPX-JTQLQIEISA-N -1 1 238.331 2.047 20 0 BEADMM Cc1oc2ccccc2c1CN(C)CC(=O)[O-] ZINC000124183445 589958893 /nfs/dbraw/zinc/95/88/93/589958893.db2.gz GUEUNGXVOZGSEU-UHFFFAOYSA-N -1 1 233.267 2.258 20 0 BEADMM COCc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874929013 590156307 /nfs/dbraw/zinc/15/63/07/590156307.db2.gz ZQHKNUWOTWLVRG-UXBLZVDNSA-N -1 1 249.291 2.157 20 0 BEADMM O=C(CCc1ccccc1)[N-]OCC(F)(F)F ZINC000135215933 591997246 /nfs/dbraw/zinc/99/72/46/591997246.db2.gz WUBMBOMMYMKYEW-UHFFFAOYSA-N -1 1 247.216 2.229 20 0 BEADMM C[C@H](CN1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000138126803 592237977 /nfs/dbraw/zinc/23/79/77/592237977.db2.gz URWPXVKHFHEBBS-GFCCVEGCSA-N -1 1 248.326 2.086 20 0 BEADMM CCc1cc(C(=O)[N-]c2c(C)noc2CC)no1 ZINC000889740915 592652217 /nfs/dbraw/zinc/65/22/17/592652217.db2.gz PUJSWNYZHJBBJF-UHFFFAOYSA-N -1 1 249.270 2.348 20 0 BEADMM CC[C@@H](N[C@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000082758191 597250796 /nfs/dbraw/zinc/25/07/96/597250796.db2.gz QPRGTAJMJRWADB-RKDXNWHRSA-N -1 1 211.261 2.102 20 0 BEADMM CN(Cc1ccc[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC000258899327 598211894 /nfs/dbraw/zinc/21/18/94/598211894.db2.gz NZULWZGCYPYNIS-UHFFFAOYSA-N -1 1 244.294 2.345 20 0 BEADMM O=C([O-])CN1CCCCC[C@H]1c1ccco1 ZINC000390365425 600273580 /nfs/dbraw/zinc/27/35/80/600273580.db2.gz TZUYMXSJINFTGS-JTQLQIEISA-N -1 1 223.272 2.281 20 0 BEADMM C[C@H]1CCN(CC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000309751818 600862022 /nfs/dbraw/zinc/86/20/22/600862022.db2.gz KRVXPBAFNKBUGT-VHSXEESVSA-N -1 1 223.272 2.137 20 0 BEADMM CN(C/C(Cl)=C/Cl)C(C)(C)C(=O)[O-] ZINC000086000717 602041467 /nfs/dbraw/zinc/04/14/67/602041467.db2.gz HTBSBUDOTASNEH-XQRVVYSFSA-N -1 1 226.103 2.100 20 0 BEADMM C[C@@]1(C(=O)[O-])CCN(C/C(Cl)=C/Cl)C1 ZINC000086000753 602050651 /nfs/dbraw/zinc/05/06/51/602050651.db2.gz ZMUFSBJVUVOUFM-WQAKUFEDSA-N -1 1 238.114 2.102 20 0 BEADMM CC(C)=CCN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738759719 602833779 /nfs/dbraw/zinc/83/37/79/602833779.db2.gz KYNCQANRLCXAOF-PHIMTYICSA-N -1 1 226.320 2.025 20 0 BEADMM CCc1ccc(CN(CC(=O)[O-])C(C)C)o1 ZINC000083405482 604557162 /nfs/dbraw/zinc/55/71/62/604557162.db2.gz ZGGDUNYDXRQEKR-UHFFFAOYSA-N -1 1 225.288 2.137 20 0 BEADMM C[C@@H]1C[C@H]1c1ccc(CN[C@@H](C(=O)[O-])C2CC2)o1 ZINC000226422297 605063239 /nfs/dbraw/zinc/06/32/39/605063239.db2.gz TXLBYICWEHLOQR-XTWCZFFVSA-N -1 1 249.310 2.356 20 0 BEADMM O=C([N-]C/C=C\c1ccccc1)C(F)(F)F ZINC000146316775 631415923 /nfs/dbraw/zinc/41/59/23/631415923.db2.gz MGXWEJXSXYMEIM-DAXSKMNVSA-N -1 1 229.201 2.378 20 0 BEADMM CCCNC(=O)c1c([O-])cccc1Cl ZINC000049082522 636009081 /nfs/dbraw/zinc/00/90/81/636009081.db2.gz KSFZWSYJUXKTSF-UHFFFAOYSA-N -1 1 213.664 2.185 20 0 BEADMM C[C@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188353645 635292753 /nfs/dbraw/zinc/29/27/53/635292753.db2.gz ZFCJYRAIWQJHBH-WDSKDSINSA-N -1 1 226.663 2.035 20 0 BEADMM Cc1ccnc(NCC(C)(C)CC(=O)[O-])c1 ZINC000906148330 638075518 /nfs/dbraw/zinc/07/55/18/638075518.db2.gz FHCWLSYQECGWBD-UHFFFAOYSA-N -1 1 222.288 2.303 20 0 BEADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1C ZINC000149302200 638298540 /nfs/dbraw/zinc/29/85/40/638298540.db2.gz NJKCGNLNRWYSFL-UXBLZVDNSA-N -1 1 249.291 2.328 20 0 BEADMM O=C(OCCCC1CCCCC1)c1cn[n-]n1 ZINC000909312143 639205167 /nfs/dbraw/zinc/20/51/67/639205167.db2.gz QPIVUHCGUPNXEA-UHFFFAOYSA-N -1 1 237.303 2.322 20 0 BEADMM CCO[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910980445 639554552 /nfs/dbraw/zinc/55/45/52/639554552.db2.gz DOHDCWOWYVYQPU-ZCFIWIBFSA-N -1 1 245.225 2.034 20 0 BEADMM CC[C@@H](OC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984488 639556136 /nfs/dbraw/zinc/55/61/36/639556136.db2.gz RTQLLPBIEITLQG-SECBINFHSA-N -1 1 245.225 2.034 20 0 BEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC12CC2 ZINC000910987205 639557372 /nfs/dbraw/zinc/55/73/72/639557372.db2.gz QBHDLSIGNRJJIE-SSDOTTSWSA-N -1 1 239.221 2.409 20 0 BEADMM CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC000910982159 639557485 /nfs/dbraw/zinc/55/74/85/639557485.db2.gz MAPVWUZRMYACAZ-UHFFFAOYSA-N -1 1 227.210 2.409 20 0 BEADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000228863486 640900956 /nfs/dbraw/zinc/90/09/56/640900956.db2.gz AYZWFWGPMWIAEI-QMMMGPOBSA-N -1 1 247.216 2.400 20 0 BEADMM Cc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])o1 ZINC000229294558 640942445 /nfs/dbraw/zinc/94/24/45/640942445.db2.gz YQTJZILPVGKIEH-CABZTGNLSA-N -1 1 237.299 2.273 20 0 BEADMM O=C(C[C@@H]1CC=CCC1)[N-]OCC(F)(F)F ZINC000934903278 641296857 /nfs/dbraw/zinc/29/68/57/641296857.db2.gz SUAXYCOQHLHZTJ-MRVPVSSYSA-N -1 1 237.221 2.343 20 0 BEADMM CC[C@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000935020941 641318769 /nfs/dbraw/zinc/31/87/69/641318769.db2.gz MPOWTTHASXXWOS-NSHDSACASA-N -1 1 243.690 2.145 20 0 BEADMM Cc1cccc(C)c1C[N-]C(=O)C(F)(F)F ZINC000766582990 641883386 /nfs/dbraw/zinc/88/33/86/641883386.db2.gz ABSCDELJBOYEDW-UHFFFAOYSA-N -1 1 231.217 2.482 20 0 BEADMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1F ZINC000917347349 642045612 /nfs/dbraw/zinc/04/56/12/642045612.db2.gz BLRKNIXKDPUERM-LLVKDONJSA-N -1 1 220.247 2.364 20 0 BEADMM Cc1[n-]n(-c2ccc(F)cc2F)c(=O)c1F ZINC000917348013 642047407 /nfs/dbraw/zinc/04/74/07/642047407.db2.gz QWWMAXRRCWHNGE-SECBINFHSA-N -1 1 228.173 2.025 20 0 BEADMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1F ZINC000917348253 642048015 /nfs/dbraw/zinc/04/80/15/642048015.db2.gz ZSECMRGAHMTNJZ-VIFPVBQESA-N -1 1 249.270 2.357 20 0 BEADMM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1F ZINC000917347984 642048143 /nfs/dbraw/zinc/04/81/43/642048143.db2.gz PUURDUPZKKNSRO-LLVKDONJSA-N -1 1 220.247 2.364 20 0 BEADMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1F ZINC000917348034 642048193 /nfs/dbraw/zinc/04/81/93/642048193.db2.gz RIFJASYRVMLUNY-VIFPVBQESA-N -1 1 226.638 2.401 20 0 BEADMM Cc1nc(SCCOC2CC2)[n-]c(=O)c1C ZINC000917418868 642057442 /nfs/dbraw/zinc/05/74/42/642057442.db2.gz AXVGZXMFXWJODP-UHFFFAOYSA-N -1 1 240.328 2.070 20 0 BEADMM Cc1ccc(C[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000071776650 642465314 /nfs/dbraw/zinc/46/53/14/642465314.db2.gz UQGFUZYBGTXSRH-UHFFFAOYSA-N -1 1 231.217 2.482 20 0 BEADMM O=C([O-])c1ccc(CN=Nc2ccccn2)cc1 ZINC000013154896 642837232 /nfs/dbraw/zinc/83/72/32/642837232.db2.gz NOBIWKZBCSRAHG-UHFFFAOYSA-N -1 1 241.250 2.226 20 0 BEADMM CC(C)CC[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000070233330 643000424 /nfs/dbraw/zinc/00/04/24/643000424.db2.gz VQFMASOIZQJNEJ-SSDOTTSWSA-N -1 1 211.227 2.490 20 0 BEADMM C[C@H](CCC1CC1)[N-]C(=O)C(F)(F)F ZINC000307033968 643401960 /nfs/dbraw/zinc/40/19/60/643401960.db2.gz MGWKZVAWIDXVTA-ZCFIWIBFSA-N -1 1 209.211 2.244 20 0 BEADMM O=C(Nc1ccc(O)cc1F)c1ccccc1[O-] ZINC000085203673 643692462 /nfs/dbraw/zinc/69/24/62/643692462.db2.gz FNUBATUAWQXNTB-UHFFFAOYSA-N -1 1 247.225 2.489 20 0 BEADMM CCCCC[C@](C)(CC)C(=O)Nc1nnn[n-]1 ZINC000187090450 644267661 /nfs/dbraw/zinc/26/76/61/644267661.db2.gz UETVVNVFFZTTHO-NSHDSACASA-N -1 1 239.323 2.135 20 0 BEADMM CCCCC[C@](C)(CC)C(=O)Nc1nn[n-]n1 ZINC000187090450 644267671 /nfs/dbraw/zinc/26/76/71/644267671.db2.gz UETVVNVFFZTTHO-NSHDSACASA-N -1 1 239.323 2.135 20 0 BEADMM CC[C@@H](C)C[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000083868503 644410678 /nfs/dbraw/zinc/41/06/78/644410678.db2.gz YVZNKHVXMAEJPZ-RNFRBKRXSA-N -1 1 211.227 2.490 20 0 BEADMM C[C@H](C(=O)[N-]OCC(F)F)c1ccsc1 ZINC000759335858 644639062 /nfs/dbraw/zinc/63/90/62/644639062.db2.gz CBFQGCGHVDYFBM-LURJTMIESA-N -1 1 235.255 2.165 20 0 BEADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccsc1 ZINC000759335859 644639906 /nfs/dbraw/zinc/63/99/06/644639906.db2.gz CBFQGCGHVDYFBM-ZCFIWIBFSA-N -1 1 235.255 2.165 20 0 BEADMM Cc1ccc(C=C2SC(=O)[N-]C2=O)s1 ZINC000096662783 644830625 /nfs/dbraw/zinc/83/06/25/644830625.db2.gz BWOSUTDBERISKX-QPJJXVBHSA-N -1 1 225.294 2.380 20 0 BEADMM O=C([N-]CC[C@H]1CC1(F)F)C(F)(F)C(F)F ZINC000857683122 645641791 /nfs/dbraw/zinc/64/17/91/645641791.db2.gz ADKYRJZOHPQBQE-BYPYZUCNSA-N -1 1 249.154 2.048 20 0 BEADMM CC(C)(C[N-]C(=O)C(F)(F)F)C1CC1 ZINC000929085183 645935942 /nfs/dbraw/zinc/93/59/42/645935942.db2.gz YVVBVFZESYWUNE-UHFFFAOYSA-N -1 1 209.211 2.101 20 0 BEADMM Cc1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000037596928 712668424 /nfs/dbraw/zinc/66/84/24/712668424.db2.gz LXESVYYRZPOUKD-UHFFFAOYSA-N -1 1 237.299 2.417 20 0 BEADMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1C ZINC000106694923 1169013113 /nfs/dbraw/zinc/01/31/13/1169013113.db2.gz NBKSNEUZTWAXMD-POHAHGRESA-N -1 1 249.291 2.328 20 0 BEADMM