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)c1csc(Cc2ccccc2)n1 ZINC000000167699 587533460 /nfs/dbraw/zinc/53/34/60/587533460.db2.gz SXYSZCIPVRIVCV-UHFFFAOYSA-N 0 0 231.364 4.031 20 0 BIADRN Cc1ccc(SC[C@H]2CC2(Cl)Cl)cc1 ZINC000000194008 178828566 /nfs/dbraw/zinc/82/85/66/178828566.db2.gz VCCLQCPLHIKYNO-SECBINFHSA-N 0 0 247.190 4.281 20 0 BIADRN Cc1ccc(SC[C@@H]2CC2(Cl)Cl)cc1 ZINC000000194009 383894220 /nfs/dbraw/zinc/89/42/20/383894220.db2.gz VCCLQCPLHIKYNO-VIFPVBQESA-N 0 0 247.190 4.281 20 0 BIADRN CCOc1ccc(NCc2ccc(C)cc2)cc1 ZINC000000251460 170552279 /nfs/dbraw/zinc/55/22/79/170552279.db2.gz ZEHGKIJRHQCNPI-UHFFFAOYSA-N 0 0 241.334 4.006 20 0 BIADRN Cc1cccc(C)c1NCc1c(F)cccc1F ZINC000000275168 179043758 /nfs/dbraw/zinc/04/37/58/179043758.db2.gz HVLPETNHNKOZQD-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(CNc2ccc(C)c(C)c2)s1 ZINC000000498477 363053849 /nfs/dbraw/zinc/05/38/49/363053849.db2.gz XESKQYCWASWBRV-UHFFFAOYSA-N 0 0 231.364 4.285 20 0 BIADRN CCc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000000503939 171817948 /nfs/dbraw/zinc/81/79/48/171817948.db2.gz ACIZPVWLDJQYPT-UHFFFAOYSA-N 0 0 245.366 4.158 20 0 BIADRN CC(C)c1ccccc1OC(=O)c1ccccc1 ZINC000000505025 642788023 /nfs/dbraw/zinc/78/80/23/642788023.db2.gz HRHFLGLKSCJDDM-UHFFFAOYSA-N 0 0 240.302 4.029 20 0 BIADRN Clc1cccc(Cl)c1Nc1nccs1 ZINC000000563296 349995271 /nfs/dbraw/zinc/99/52/71/349995271.db2.gz ZIFIOPQRDNFUFF-UHFFFAOYSA-N 0 0 245.134 4.194 20 0 BIADRN Fc1ccc(COc2ccccc2Cl)cc1 ZINC000000564439 363055345 /nfs/dbraw/zinc/05/53/45/363055345.db2.gz IPHHNTYGSQKGOT-UHFFFAOYSA-N 0 0 236.673 4.058 20 0 BIADRN Cc1cccc(OCc2ccc(F)cc2)c1C ZINC000000564475 188581687 /nfs/dbraw/zinc/58/16/87/188581687.db2.gz IDPXCSJOFOCAON-UHFFFAOYSA-N 0 0 230.282 4.022 20 0 BIADRN Cc1cccc(C)c1OCc1ccc(F)cc1 ZINC000000564478 179047796 /nfs/dbraw/zinc/04/77/96/179047796.db2.gz UYGDDFBHLFKPRB-UHFFFAOYSA-N 0 0 230.282 4.022 20 0 BIADRN Fc1cccc(Cl)c1COc1ccccc1 ZINC000000564500 180999018 /nfs/dbraw/zinc/99/90/18/180999018.db2.gz WQQVNJGEXQTSOR-UHFFFAOYSA-N 0 0 236.673 4.058 20 0 BIADRN Cc1ccc(OCc2ccc(F)cc2)cc1C ZINC000000564508 350187869 /nfs/dbraw/zinc/18/78/69/350187869.db2.gz UXNFVMFXLRDMFN-UHFFFAOYSA-N 0 0 230.282 4.022 20 0 BIADRN CCc1ccc(CNc2ccc(F)cc2)cc1 ZINC000000571157 171812947 /nfs/dbraw/zinc/81/29/47/171812947.db2.gz QWZKOJSCKWOKNX-UHFFFAOYSA-N 0 0 229.298 4.000 20 0 BIADRN COc1ccc(Nc2c(C)cccc2C)cc1 ZINC000000972973 175156209 /nfs/dbraw/zinc/15/62/09/175156209.db2.gz KBSMSLABXMGEDK-UHFFFAOYSA-N 0 0 227.307 4.056 20 0 BIADRN CC(C)c1ccc(C(=O)Oc2ccccc2)cc1 ZINC000001284207 167591372 /nfs/dbraw/zinc/59/13/72/167591372.db2.gz NFIGVPTYRJTUPX-UHFFFAOYSA-N 0 0 240.302 4.029 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1ccccc1 ZINC000001510383 179305513 /nfs/dbraw/zinc/30/55/13/179305513.db2.gz QQMYZYUKSUYNCH-ZDUSSCGKSA-N 0 0 211.308 4.168 20 0 BIADRN Cc1ccccc1N[C@H](C)c1ccccc1 ZINC000001510386 179307440 /nfs/dbraw/zinc/30/74/40/179307440.db2.gz QQMYZYUKSUYNCH-CYBMUJFWSA-N 0 0 211.308 4.168 20 0 BIADRN COc1ccc(-c2cc3ccccc3[nH]2)c(C)c1 ZINC000001519055 175032456 /nfs/dbraw/zinc/03/24/56/175032456.db2.gz ITBUSSICGJFRPD-UHFFFAOYSA-N 0 0 237.302 4.152 20 0 BIADRN CC(C)(C)c1ccc(-c2cscn2)cc1 ZINC000001520039 487571502 /nfs/dbraw/zinc/57/15/02/487571502.db2.gz JDIHPIIPFDCQOS-UHFFFAOYSA-N 0 0 217.337 4.108 20 0 BIADRN c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000001520044 183379685 /nfs/dbraw/zinc/37/96/85/183379685.db2.gz YCFWYPVEXLCHQP-UHFFFAOYSA-N 0 0 237.327 4.477 20 0 BIADRN CC(C)c1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC000001570934 487646215 /nfs/dbraw/zinc/64/62/15/487646215.db2.gz ZPSZQOJQFQECCA-UHFFFAOYSA-N 0 0 247.382 4.069 20 0 BIADRN Fc1ccc2sc(-c3ccccc3)nc2c1 ZINC000001595649 342705146 /nfs/dbraw/zinc/70/51/46/342705146.db2.gz ZWXWQUSYBCHJPI-UHFFFAOYSA-N 0 0 229.279 4.102 20 0 BIADRN CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000001601257 168995528 /nfs/dbraw/zinc/99/55/28/168995528.db2.gz VWZJKVFZZPUIEJ-ZDUSSCGKSA-N 0 0 233.355 4.150 20 0 BIADRN CO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000001691612 342709438 /nfs/dbraw/zinc/70/94/38/342709438.db2.gz YYZKQWJAQAXRAH-AWEZNQCLSA-N 0 0 232.710 4.076 20 0 BIADRN CO[C@@H](c1ccccc1)c1ccccc1Cl ZINC000001691613 342709419 /nfs/dbraw/zinc/70/94/19/342709419.db2.gz UKEZSNPUWKUMLF-AWEZNQCLSA-N 0 0 232.710 4.076 20 0 BIADRN c1ccc(CCSCc2ccccc2)cc1 ZINC000001696140 357158427 /nfs/dbraw/zinc/15/84/27/357158427.db2.gz QCCMFIZEODIDSL-UHFFFAOYSA-N 0 0 228.360 4.163 20 0 BIADRN Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC000001729416 342711645 /nfs/dbraw/zinc/71/16/45/342711645.db2.gz MXYQBWLLLVCZLN-UHFFFAOYSA-N 0 0 219.287 4.210 20 0 BIADRN Nc1cccc2cccc(Nc3ccccc3)c12 ZINC000001734427 357692009 /nfs/dbraw/zinc/69/20/09/357692009.db2.gz VKPLCZFJGSTZCM-UHFFFAOYSA-N 0 0 234.302 4.166 20 0 BIADRN CCOc1ccc(-c2ccc(C)cc2)cc1 ZINC000001987199 636129761 /nfs/dbraw/zinc/12/97/61/636129761.db2.gz XRAVMHGIQUVWMN-UHFFFAOYSA-N 0 0 212.292 4.061 20 0 BIADRN CC(C)c1ccc(-c2ccc(O)cc2)cc1 ZINC000002015638 167580119 /nfs/dbraw/zinc/58/01/19/167580119.db2.gz YHZQOKUDQQISEW-UHFFFAOYSA-N 0 0 212.292 4.183 20 0 biogenic,in-vitro BIADRN c1ccc(S[C@H]2CCc3ccccc32)cc1 ZINC000002149969 487736941 /nfs/dbraw/zinc/73/69/41/487736941.db2.gz DMVQUBBKIOBMQE-HNNXBMFYSA-N 0 0 226.344 4.466 20 0 BIADRN c1ccc(S[C@@H]2CCc3ccccc32)cc1 ZINC000002149972 487736333 /nfs/dbraw/zinc/73/63/33/487736333.db2.gz DMVQUBBKIOBMQE-OAHLLOKOSA-N 0 0 226.344 4.466 20 0 BIADRN CCCCOc1cccc2ccccc21 ZINC000002168374 363073774 /nfs/dbraw/zinc/07/37/74/363073774.db2.gz RBITXBWPKRSPEO-UHFFFAOYSA-N 0 0 200.281 4.019 20 0 BIADRN CCCCCCNC(=O)c1ccc(C(C)C)cc1 ZINC000002609206 168665174 /nfs/dbraw/zinc/66/51/74/168665174.db2.gz KVWHHHVBTOXHOE-UHFFFAOYSA-N 0 0 247.382 4.120 20 0 BIADRN O=C(Oc1ccccc1)c1ccc2ccccc2c1 ZINC000003032982 592223690 /nfs/dbraw/zinc/22/36/90/592223690.db2.gz XBDNVPPAQQNVBW-UHFFFAOYSA-N 0 0 248.281 4.059 20 0 BIADRN CCCCCC(=O)Nc1c(C)cc(C)cc1C ZINC000003203912 168641192 /nfs/dbraw/zinc/64/11/92/168641192.db2.gz WNBOXWHERHTDPN-UHFFFAOYSA-N 0 0 233.355 4.131 20 0 BIADRN CCCCCSC[C@H]1CC1(Cl)Cl ZINC000003652305 633063663 /nfs/dbraw/zinc/06/36/63/633063663.db2.gz ZJMADHNWMYVCTQ-MRVPVSSYSA-N 0 0 227.200 4.104 20 0 BIADRN CCCCCSC[C@@H]1CC1(Cl)Cl ZINC000003652307 633062924 /nfs/dbraw/zinc/06/29/24/633062924.db2.gz ZJMADHNWMYVCTQ-QMMMGPOBSA-N 0 0 227.200 4.104 20 0 BIADRN Cc1ccc(/C=C/c2nc3ccccc3o2)cc1 ZINC000004113824 178356359 /nfs/dbraw/zinc/35/63/59/178356359.db2.gz UBTDEDBXGMJYHU-ZHACJKMWSA-N 0 0 235.286 4.307 20 0 BIADRN FC(F)(F)c1ccc(-c2ccsc2)cc1 ZINC000004299217 388588928 /nfs/dbraw/zinc/58/89/28/388588928.db2.gz ODBMKCKBKQEWKI-UHFFFAOYSA-N 0 0 228.238 4.434 20 0 BIADRN CC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000005283724 191112416 /nfs/dbraw/zinc/11/24/16/191112416.db2.gz CKZNBARGNLSAQG-HNNXBMFYSA-N 0 0 242.343 4.109 20 0 BIADRN CC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005283747 188156779 /nfs/dbraw/zinc/15/67/79/188156779.db2.gz CKZNBARGNLSAQG-OAHLLOKOSA-N 0 0 242.343 4.109 20 0 BIADRN C[C@H](Sc1ccccc1)C(=O)c1ccccc1 ZINC000005368188 177029304 /nfs/dbraw/zinc/02/93/04/177029304.db2.gz WVUCTGTYKZMBPH-LBPRGKRZSA-N 0 0 242.343 4.050 20 0 BIADRN C[C@@H](Sc1ccccc1)C(=O)c1ccccc1 ZINC000005370626 176009461 /nfs/dbraw/zinc/00/94/61/176009461.db2.gz WVUCTGTYKZMBPH-GFCCVEGCSA-N 0 0 242.343 4.050 20 0 BIADRN Cc1ccc(NC/C=C/c2ccccc2)cc1 ZINC000005394350 256772016 /nfs/dbraw/zinc/77/20/16/256772016.db2.gz XCQQNUAZHXOTJO-VMPITWQZSA-N 0 0 223.319 4.120 20 0 BIADRN CCCC[C@@H](CC)C(=O)NC1CCCCCC1 ZINC000005420866 256774147 /nfs/dbraw/zinc/77/41/47/256774147.db2.gz UDWBWUBMZJLKOV-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@H](CC)C(=O)NC1CCCCCC1 ZINC000005421105 322815058 /nfs/dbraw/zinc/81/50/58/322815058.db2.gz UDWBWUBMZJLKOV-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCC(CC)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000005454695 168341286 /nfs/dbraw/zinc/34/12/86/168341286.db2.gz LRDABBCMAMRCPH-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005458367 388589980 /nfs/dbraw/zinc/58/99/80/388589980.db2.gz VZCBFYUMICLORA-UHFFFAOYSA-N 0 0 246.137 4.122 20 0 BIADRN CCCCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000005459869 384115905 /nfs/dbraw/zinc/11/59/05/384115905.db2.gz NKWKKBCLWBRWRA-UHFFFAOYSA-N 0 0 233.355 4.329 20 0 BIADRN CCCCCC(=O)Nc1cccc(Cl)c1C ZINC000005459933 388590221 /nfs/dbraw/zinc/59/02/21/388590221.db2.gz SQDDTOXXHPPBDZ-UHFFFAOYSA-N 0 0 239.746 4.167 20 0 BIADRN CCCCCC(=O)Nc1ccccc1C(C)C ZINC000005459951 388589807 /nfs/dbraw/zinc/58/98/07/388589807.db2.gz QTHGCOVAWJGCRI-UHFFFAOYSA-N 0 0 233.355 4.329 20 0 BIADRN CCCCCCC(=O)Nc1cc(C)cc(C)c1 ZINC000005461422 592512294 /nfs/dbraw/zinc/51/22/94/592512294.db2.gz DMMHULQKIVUWGS-UHFFFAOYSA-N 0 0 233.355 4.212 20 0 BIADRN CCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000005461518 168646464 /nfs/dbraw/zinc/64/64/64/168646464.db2.gz LDYOZSRMMFICNS-UHFFFAOYSA-N 0 0 239.746 4.249 20 0 BIADRN CCCCCCC(=O)Nc1cccc(Cl)c1 ZINC000005461584 592512613 /nfs/dbraw/zinc/51/26/13/592512613.db2.gz LTTCNFXMUDLWKI-UHFFFAOYSA-N 0 0 239.746 4.249 20 0 BIADRN CCCCCCC(=O)Nc1ccccc1CC ZINC000005461617 588222862 /nfs/dbraw/zinc/22/28/62/588222862.db2.gz CWESRRSZQKRSSK-UHFFFAOYSA-N 0 0 233.355 4.158 20 0 BIADRN CCCC[C@@H](CC)C(=O)Nc1c(C)cccc1C ZINC000005466741 353424887 /nfs/dbraw/zinc/42/48/87/353424887.db2.gz QWZDDSAPAINYLX-CQSZACIVSA-N 0 0 247.382 4.458 20 0 BIADRN CCCC[C@H](CC)C(=O)Nc1c(C)cccc1C ZINC000005467489 353424984 /nfs/dbraw/zinc/42/49/84/353424984.db2.gz QWZDDSAPAINYLX-AWEZNQCLSA-N 0 0 247.382 4.458 20 0 BIADRN CCC(C)(C)C(=O)Nc1cc(Cl)ccc1C ZINC000005501259 353770686 /nfs/dbraw/zinc/77/06/86/353770686.db2.gz KXQIUTZKKVUQPQ-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000005524231 168241149 /nfs/dbraw/zinc/24/11/49/168241149.db2.gz XKDIHMBJSHIWSK-UHFFFAOYSA-N 0 0 233.355 4.282 20 0 BIADRN CCCCC(=O)Nc1c(C)cccc1C(C)C ZINC000005524733 342765628 /nfs/dbraw/zinc/76/56/28/342765628.db2.gz NVXGAXFVEGVCQE-UHFFFAOYSA-N 0 0 233.355 4.247 20 0 BIADRN Clc1ccc(CSc2ccccn2)cc1 ZINC000005572595 388612967 /nfs/dbraw/zinc/61/29/67/388612967.db2.gz DJGADUJSUSJJPL-UHFFFAOYSA-N 0 0 235.739 4.027 20 0 BIADRN Clc1cccc(CSc2ccccn2)c1 ZINC000005572596 180590571 /nfs/dbraw/zinc/59/05/71/180590571.db2.gz WBZDTKZQASTROZ-UHFFFAOYSA-N 0 0 235.739 4.027 20 0 BIADRN CCCCSc1ccc2ccccc2n1 ZINC000005585031 360491301 /nfs/dbraw/zinc/49/13/01/360491301.db2.gz FYANNKHVPUYSDS-UHFFFAOYSA-N 0 0 217.337 4.127 20 0 BIADRN CCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000005591050 256775448 /nfs/dbraw/zinc/77/54/48/256775448.db2.gz XVQXLDZWBGRSMH-UONOGXRCSA-N 0 0 247.382 4.080 20 0 BIADRN CCCC[C@@H](CC)C(=O)N[C@H](C)c1ccccc1 ZINC000005591052 256775415 /nfs/dbraw/zinc/77/54/15/256775415.db2.gz XVQXLDZWBGRSMH-ZIAGYGMSSA-N 0 0 247.382 4.080 20 0 BIADRN CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000005591057 387503582 /nfs/dbraw/zinc/50/35/82/387503582.db2.gz VWZJKVFZZPUIEJ-CYBMUJFWSA-N 0 0 233.355 4.150 20 0 BIADRN CCCC[C@H](CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000005591116 387502926 /nfs/dbraw/zinc/50/29/26/387502926.db2.gz XVQXLDZWBGRSMH-KBPBESRZSA-N 0 0 247.382 4.080 20 0 BIADRN CCCC[C@H](CC)C(=O)N[C@H](C)c1ccccc1 ZINC000005591118 387503810 /nfs/dbraw/zinc/50/38/10/387503810.db2.gz XVQXLDZWBGRSMH-KGLIPLIRSA-N 0 0 247.382 4.080 20 0 BIADRN CCC[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000005591393 384122216 /nfs/dbraw/zinc/12/22/16/384122216.db2.gz YJCYQFBMDIUBAR-GFCCVEGCSA-N 0 0 233.355 4.185 20 0 BIADRN CCC[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000005591485 384121471 /nfs/dbraw/zinc/12/14/71/384121471.db2.gz YJCYQFBMDIUBAR-LBPRGKRZSA-N 0 0 233.355 4.185 20 0 BIADRN CCCCC(=O)Nc1cc(Cl)ccc1Cl ZINC000005614686 388620403 /nfs/dbraw/zinc/62/04/03/388620403.db2.gz GWHRXHSECNJDHW-UHFFFAOYSA-N 0 0 246.137 4.122 20 0 BIADRN CCCCSc1cccc2cccnc21 ZINC000005713317 387508408 /nfs/dbraw/zinc/50/84/08/387508408.db2.gz FBBHZFIWASSZHP-UHFFFAOYSA-N 0 0 217.337 4.127 20 0 BIADRN CCCCCC(=O)Nc1c(C)cccc1CC ZINC000005859921 168641187 /nfs/dbraw/zinc/64/11/87/168641187.db2.gz XGLRIMYVFNWOLW-UHFFFAOYSA-N 0 0 233.355 4.076 20 0 BIADRN Cc1ccc(CNc2ccc(C)c(C)c2)cc1 ZINC000005895967 178638695 /nfs/dbraw/zinc/63/86/95/178638695.db2.gz KEIDWOQVFXZPES-UHFFFAOYSA-N 0 0 225.335 4.224 20 0 BIADRN CCC(CC)C(=O)Nc1c(C)cccc1C(C)C ZINC000005917606 168340422 /nfs/dbraw/zinc/34/04/22/168340422.db2.gz QIWZTAVIKIYSSV-UHFFFAOYSA-N 0 0 247.382 4.493 20 0 BIADRN CC[C@@H](C)C(=O)Oc1cc(C)ccc1C(C)C ZINC000005922055 588309780 /nfs/dbraw/zinc/30/97/80/588309780.db2.gz NBUBCJBQVQEAAC-GFCCVEGCSA-N 0 0 234.339 4.070 20 0 BIADRN CC[C@H](C)C(=O)Oc1cc(C)ccc1C(C)C ZINC000005924540 171256380 /nfs/dbraw/zinc/25/63/80/171256380.db2.gz NBUBCJBQVQEAAC-LBPRGKRZSA-N 0 0 234.339 4.070 20 0 BIADRN Cc1ccc(CNc2cnc3ccccc3c2)cc1 ZINC000005930897 387521571 /nfs/dbraw/zinc/52/15/71/387521571.db2.gz FGSNHLDFOBXRQR-UHFFFAOYSA-N 0 0 248.329 4.155 20 0 BIADRN Oc1cccc(/C=C/c2ccc3ccccc3n2)c1 ZINC000005931239 183287913 /nfs/dbraw/zinc/28/79/13/183287913.db2.gz RZENAZZCHMPRHI-CSKARUKUSA-N 0 0 247.297 4.111 20 0 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Cc1cccc(N[C@@H](C)c2ccccc2)c1 ZINC000019877093 179152966 /nfs/dbraw/zinc/15/29/66/179152966.db2.gz FJFGVASTROGZKI-ZDUSSCGKSA-N 0 0 211.308 4.168 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(C)c2)cc1 ZINC000019877096 386931581 /nfs/dbraw/zinc/93/15/81/386931581.db2.gz VACUPQDWAXEDHA-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(C)c2)cc1 ZINC000019877097 178900750 /nfs/dbraw/zinc/90/07/50/178900750.db2.gz VACUPQDWAXEDHA-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN COc1ccccc1[C@@H](C)Nc1cccc(C)c1 ZINC000019877102 175346151 /nfs/dbraw/zinc/34/61/51/175346151.db2.gz ODPHAMOBXWGTJD-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccccc1[C@H](C)Nc1cccc(C)c1 ZINC000019877103 175351799 /nfs/dbraw/zinc/35/17/99/175351799.db2.gz ODPHAMOBXWGTJD-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1cccc(N[C@H](C)c2c(F)cccc2F)c1 ZINC000019877120 179156761 /nfs/dbraw/zinc/15/67/61/179156761.db2.gz JMLHKWNHXBGIHT-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@@H](C)c2c(F)cccc2F)c1 ZINC000019877121 179152811 /nfs/dbraw/zinc/15/28/11/179152811.db2.gz JMLHKWNHXBGIHT-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccccc2F)c1 ZINC000019877137 179156742 /nfs/dbraw/zinc/15/67/42/179156742.db2.gz ZHZDUISJEYNUKJ-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccccc2F)c1 ZINC000019877139 179153266 /nfs/dbraw/zinc/15/32/66/179153266.db2.gz ZHZDUISJEYNUKJ-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccc(F)cc2)c1 ZINC000019877145 179156586 /nfs/dbraw/zinc/15/65/86/179156586.db2.gz RWTFTZSDRLXXGG-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000019877147 179153702 /nfs/dbraw/zinc/15/37/02/179153702.db2.gz RWTFTZSDRLXXGG-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN COc1ccc([C@@H](C)Nc2cccc(C)c2)cc1 ZINC000019877161 175177891 /nfs/dbraw/zinc/17/78/91/175177891.db2.gz JUMWVQCKNFDGKS-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc([C@H](C)Nc2cccc(C)c2)cc1 ZINC000019877163 175190290 /nfs/dbraw/zinc/19/02/90/175190290.db2.gz JUMWVQCKNFDGKS-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000019877164 179154688 /nfs/dbraw/zinc/15/46/88/179154688.db2.gz ZSKYXLVDESCDRM-MRXNPFEDSA-N 0 0 223.319 4.094 20 0 BIADRN Cc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000019877165 179157507 /nfs/dbraw/zinc/15/75/07/179157507.db2.gz ZSKYXLVDESCDRM-INIZCTEOSA-N 0 0 223.319 4.094 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(C)c2)o1 ZINC000019877166 179156700 /nfs/dbraw/zinc/15/67/00/179156700.db2.gz LTGMQCABFFJDOJ-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(C)c2)o1 ZINC000019877167 179153655 /nfs/dbraw/zinc/15/36/55/179153655.db2.gz LTGMQCABFFJDOJ-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN COc1cccc([C@@H](C)Nc2cccc(C)c2)c1 ZINC000019877168 175287430 /nfs/dbraw/zinc/28/74/30/175287430.db2.gz MTSBUUJIZXHAKZ-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc([C@H](C)Nc2cccc(C)c2)c1 ZINC000019877169 175294131 /nfs/dbraw/zinc/29/41/31/175294131.db2.gz MTSBUUJIZXHAKZ-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccccc2C)c1 ZINC000019877222 179156406 /nfs/dbraw/zinc/15/64/06/179156406.db2.gz JLGSQSFNCHBHGI-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccccc2C)c1 ZINC000019877223 179153223 /nfs/dbraw/zinc/15/32/23/179153223.db2.gz JLGSQSFNCHBHGI-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000019877229 179156250 /nfs/dbraw/zinc/15/62/50/179156250.db2.gz XOLMWKJUKZQVQP-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000019877231 179153723 /nfs/dbraw/zinc/15/37/23/179153723.db2.gz XOLMWKJUKZQVQP-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccc(F)cc2F)c1 ZINC000019877233 179156290 /nfs/dbraw/zinc/15/62/90/179156290.db2.gz YHAAKDCXSOHXBD-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000019877234 179153120 /nfs/dbraw/zinc/15/31/20/179153120.db2.gz YHAAKDCXSOHXBD-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@H](C)c2cc(F)ccc2F)c1 ZINC000019877249 179156548 /nfs/dbraw/zinc/15/65/48/179156548.db2.gz YXNUTOPQWSBMSX-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(N[C@@H](C)c2cc(F)ccc2F)c1 ZINC000019877251 179153985 /nfs/dbraw/zinc/15/39/85/179153985.db2.gz YXNUTOPQWSBMSX-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cccc(NCc2c(F)cccc2Cl)c1 ZINC000019877291 179148221 /nfs/dbraw/zinc/14/82/21/179148221.db2.gz HYYKYBMITSUARL-UHFFFAOYSA-N 0 0 249.716 4.400 20 0 BIADRN Cc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000019877308 179156368 /nfs/dbraw/zinc/15/63/68/179156368.db2.gz QZIRPAVDPDTFCV-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000019877310 179153695 /nfs/dbraw/zinc/15/36/95/179153695.db2.gz QZIRPAVDPDTFCV-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(NCc2ccc(F)cc2F)c(C)c1 ZINC000019877347 347305070 /nfs/dbraw/zinc/30/50/70/347305070.db2.gz JXUUXVLOZGOLIM-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(NCc2c(F)cccc2F)c(C)c1 ZINC000019877358 347305243 /nfs/dbraw/zinc/30/52/43/347305243.db2.gz FBKOMWPRHMHNPY-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(NCc2ccc(F)c(F)c2)c(C)c1 ZINC000019877359 178763569 /nfs/dbraw/zinc/76/35/69/178763569.db2.gz IZDGVCGYAACREW-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccsc1CNc1ccc(C)cc1C ZINC000019877377 178768746 /nfs/dbraw/zinc/76/87/46/178768746.db2.gz SFIGGCWRYIVHBK-UHFFFAOYSA-N 0 0 231.364 4.285 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccc2)c(C)c1 ZINC000019877398 178776330 /nfs/dbraw/zinc/77/63/30/178776330.db2.gz CJQJLNSKGCPXLP-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccc2)c(C)c1 ZINC000019877399 347305137 /nfs/dbraw/zinc/30/51/37/347305137.db2.gz CJQJLNSKGCPXLP-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccco2)c(C)c1 ZINC000019877437 178776552 /nfs/dbraw/zinc/77/65/52/178776552.db2.gz NEAACRGIVNYSOB-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccco2)c(C)c1 ZINC000019877438 347305049 /nfs/dbraw/zinc/30/50/49/347305049.db2.gz NEAACRGIVNYSOB-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc([C@@H](C)Nc2ccc(C)cc2C)o1 ZINC000019877445 347305351 /nfs/dbraw/zinc/30/53/51/347305351.db2.gz HEPQTWCFVLTEIS-CYBMUJFWSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1ccc([C@H](C)Nc2ccc(C)cc2C)o1 ZINC000019877447 347305516 /nfs/dbraw/zinc/30/55/16/347305516.db2.gz HEPQTWCFVLTEIS-ZDUSSCGKSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000019878500 179339645 /nfs/dbraw/zinc/33/96/45/179339645.db2.gz HKFRNLJVIOYQOA-CABCVRRESA-N 0 0 239.362 4.407 20 0 BIADRN c1ccc(NCc2ccc3ccccc3c2)cc1 ZINC000019879207 385162078 /nfs/dbraw/zinc/16/20/78/385162078.db2.gz NBUZKSFXQIVGBJ-UHFFFAOYSA-N 0 0 233.314 4.452 20 0 BIADRN C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2)o1 ZINC000019879270 385161123 /nfs/dbraw/zinc/16/11/23/385161123.db2.gz NMVLIGASTIEUPK-RISCZKNCSA-N 0 0 227.307 4.015 20 0 BIADRN C[C@H]1C[C@@H]1c1ccc(CNc2ccccc2)o1 ZINC000019879272 177352094 /nfs/dbraw/zinc/35/20/94/177352094.db2.gz NMVLIGASTIEUPK-FZMZJTMJSA-N 0 0 227.307 4.015 20 0 BIADRN C[C@@H]1C[C@H]1c1ccc(CNc2ccccc2)o1 ZINC000019879273 385161743 /nfs/dbraw/zinc/16/17/43/385161743.db2.gz NMVLIGASTIEUPK-BXUZGUMPSA-N 0 0 227.307 4.015 20 0 BIADRN C[C@H]1C[C@H]1c1ccc(CNc2ccccc2)o1 ZINC000019879274 177387490 /nfs/dbraw/zinc/38/74/90/177387490.db2.gz NMVLIGASTIEUPK-SMDDNHRTSA-N 0 0 227.307 4.015 20 0 BIADRN CCCC(CCC)Nc1ccc(NC(C)=O)cc1 ZINC000019885937 168582557 /nfs/dbraw/zinc/58/25/57/168582557.db2.gz QCTCPRHEUOSGAQ-UHFFFAOYSA-N 0 0 248.370 4.026 20 0 BIADRN CSc1cccc(NCc2ccc(F)cc2)c1 ZINC000019900507 347310707 /nfs/dbraw/zinc/31/07/07/347310707.db2.gz FHBBLRYBCDZVKI-UHFFFAOYSA-N 0 0 247.338 4.160 20 0 BIADRN CSc1cccc(NCc2cccc(F)c2)c1 ZINC000019900515 347311145 /nfs/dbraw/zinc/31/11/45/347311145.db2.gz ZWQKTTAETYCFJV-UHFFFAOYSA-N 0 0 247.338 4.160 20 0 BIADRN CSc1cccc(NCc2ccccc2C)c1 ZINC000019900517 175581441 /nfs/dbraw/zinc/58/14/41/175581441.db2.gz WZJAPRDKHIHTQP-UHFFFAOYSA-N 0 0 243.375 4.329 20 0 BIADRN CSc1cccc(NCc2ccc(C)cc2)c1 ZINC000019900518 347310778 /nfs/dbraw/zinc/31/07/78/347310778.db2.gz BHYFRORRXXCKIM-UHFFFAOYSA-N 0 0 243.375 4.329 20 0 BIADRN CSc1cccc(NCc2cccc(C)c2)c1 ZINC000019900520 347311102 /nfs/dbraw/zinc/31/11/02/347311102.db2.gz YMMJPEGKBYYOLD-UHFFFAOYSA-N 0 0 243.375 4.329 20 0 BIADRN CSc1cccc(NCc2sccc2C)c1 ZINC000019900536 347311054 /nfs/dbraw/zinc/31/10/54/347311054.db2.gz JRMDYCRYGCHSJO-UHFFFAOYSA-N 0 0 249.404 4.391 20 0 BIADRN CSc1cccc(NCc2ccsc2)c1 ZINC000019900538 342962230 /nfs/dbraw/zinc/96/22/30/342962230.db2.gz JGSIGXSTMOMINF-UHFFFAOYSA-N 0 0 235.377 4.082 20 0 BIADRN CSc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000019900593 175581697 /nfs/dbraw/zinc/58/16/97/175581697.db2.gz ZRNCHUZHUJOYIR-JTQLQIEISA-N 0 0 233.336 4.175 20 0 BIADRN CSc1cccc(N[C@H](C)c2ccco2)c1 ZINC000019900594 175581264 /nfs/dbraw/zinc/58/12/64/175581264.db2.gz ZRNCHUZHUJOYIR-SNVBAGLBSA-N 0 0 233.336 4.175 20 0 BIADRN CSc1cccc(N[C@@H](C)c2ccc(C)o2)c1 ZINC000019900601 347310950 /nfs/dbraw/zinc/31/09/50/347310950.db2.gz YLJURTZKVQMYFB-NSHDSACASA-N 0 0 247.363 4.483 20 0 BIADRN CSc1cccc(N[C@H](C)c2ccc(C)o2)c1 ZINC000019900602 347311135 /nfs/dbraw/zinc/31/11/35/347311135.db2.gz YLJURTZKVQMYFB-LLVKDONJSA-N 0 0 247.363 4.483 20 0 BIADRN CSc1cccc(NCc2ccccc2F)c1 ZINC000019900672 347311095 /nfs/dbraw/zinc/31/10/95/347311095.db2.gz RWJXZZRVHQJFDO-UHFFFAOYSA-N 0 0 247.338 4.160 20 0 BIADRN CSc1cccc(NCc2ccccc2)c1 ZINC000019900673 175581663 /nfs/dbraw/zinc/58/16/63/175581663.db2.gz YPAQELGETPYDSO-UHFFFAOYSA-N 0 0 229.348 4.021 20 0 BIADRN Cc1ccc(CNc2ccc(C)c(Cl)c2)o1 ZINC000019900705 342961878 /nfs/dbraw/zinc/96/18/78/342961878.db2.gz ZSOKXIMOLDHJCZ-UHFFFAOYSA-N 0 0 235.714 4.162 20 0 BIADRN Cc1ccc(NCc2ccsc2)cc1Cl ZINC000019900708 342961976 /nfs/dbraw/zinc/96/19/76/342961976.db2.gz FQXRKCUQFJCMBV-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccn2)cc1Cl ZINC000019900723 347310720 /nfs/dbraw/zinc/31/07/20/347310720.db2.gz SJVIBYJVZKQSOU-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccn2)cc1Cl ZINC000019900724 347310927 /nfs/dbraw/zinc/31/09/27/347310927.db2.gz SJVIBYJVZKQSOU-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccncc2)cc1Cl ZINC000019900725 347311134 /nfs/dbraw/zinc/31/11/34/347311134.db2.gz LFMIGQCWTPBHII-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccncc2)cc1Cl ZINC000019900726 347311051 /nfs/dbraw/zinc/31/10/51/347311051.db2.gz LFMIGQCWTPBHII-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2cccnc2)cc1Cl ZINC000019900727 347310941 /nfs/dbraw/zinc/31/09/41/347310941.db2.gz WGLWSYGWKWJMAG-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cccnc2)cc1Cl ZINC000019900729 347311116 /nfs/dbraw/zinc/31/11/16/347311116.db2.gz WGLWSYGWKWJMAG-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccco2)cc1Cl ZINC000019900733 347310639 /nfs/dbraw/zinc/31/06/39/347310639.db2.gz 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BIADRN CC(C)c1ccc(N[C@H](C)c2ccncc2)cc1 ZINC000019912400 342962819 /nfs/dbraw/zinc/96/28/19/342962819.db2.gz VTGFAELHELBAGX-CYBMUJFWSA-N 0 0 240.350 4.378 20 0 BIADRN CC(C)c1ccc(N[C@@H](C)c2cccnc2)cc1 ZINC000019912403 342962935 /nfs/dbraw/zinc/96/29/35/342962935.db2.gz YGUUPRGMJZJRRS-ZDUSSCGKSA-N 0 0 240.350 4.378 20 0 BIADRN CC(C)c1ccc(N[C@H](C)c2cccnc2)cc1 ZINC000019912405 167606482 /nfs/dbraw/zinc/60/64/82/167606482.db2.gz YGUUPRGMJZJRRS-CYBMUJFWSA-N 0 0 240.350 4.378 20 0 BIADRN CC(C)c1ccc(N[C@@H](C)C2CC2)cc1 ZINC000019912417 342962934 /nfs/dbraw/zinc/96/29/34/342962934.db2.gz OFXZRFPQIWYEDA-NSHDSACASA-N 0 0 203.329 4.020 20 0 BIADRN CC(C)c1ccc(N[C@H](C)C2CC2)cc1 ZINC000019912419 342962899 /nfs/dbraw/zinc/96/28/99/342962899.db2.gz OFXZRFPQIWYEDA-LLVKDONJSA-N 0 0 203.329 4.020 20 0 BIADRN CC(C)c1ccc(NCc2cccc(O)c2)cc1 ZINC000019912482 347317365 /nfs/dbraw/zinc/31/73/65/347317365.db2.gz PEOAVQAHMUPKKJ-UHFFFAOYSA-N 0 0 241.334 4.128 20 0 BIADRN Cc1ccsc1CNc1ccc2c(c1)CCC2 ZINC000019913746 347317794 /nfs/dbraw/zinc/31/77/94/347317794.db2.gz LTPICOWOSVRPFO-UHFFFAOYSA-N 0 0 243.375 4.157 20 0 BIADRN C[C@@H](Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000019913778 347317827 /nfs/dbraw/zinc/31/78/27/347317827.db2.gz IEBBILLKIHSZMB-CYBMUJFWSA-N 0 0 237.346 4.348 20 0 BIADRN C[C@H](Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000019913781 176934465 /nfs/dbraw/zinc/93/44/65/176934465.db2.gz IEBBILLKIHSZMB-ZDUSSCGKSA-N 0 0 237.346 4.348 20 0 BIADRN COc1ccc(C)cc1N[C@@H](C)c1ccccc1 ZINC000019914340 175078630 /nfs/dbraw/zinc/07/86/30/175078630.db2.gz DOPLRMOFXYPJKY-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc(C)cc1N[C@H](C)c1ccccc1 ZINC000019914342 175078452 /nfs/dbraw/zinc/07/84/52/175078452.db2.gz DOPLRMOFXYPJKY-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc(C)cc1N[C@@H](C)c1cccs1 ZINC000019914382 175078708 /nfs/dbraw/zinc/07/87/08/175078708.db2.gz YFCKIBWRJZFXMZ-NSHDSACASA-N 0 0 247.363 4.238 20 0 BIADRN COc1ccc(C)cc1N[C@H](C)c1cccs1 ZINC000019914383 175078446 /nfs/dbraw/zinc/07/84/46/175078446.db2.gz YFCKIBWRJZFXMZ-LLVKDONJSA-N 0 0 247.363 4.238 20 0 BIADRN COc1ccc(C)cc1N[C@@H](C)c1ccc(C)o1 ZINC000019914422 175078351 /nfs/dbraw/zinc/07/83/51/175078351.db2.gz CCGAXGPNTNYXGR-LBPRGKRZSA-N 0 0 245.322 4.078 20 0 BIADRN COc1ccc(C)cc1N[C@H](C)c1ccc(C)o1 ZINC000019914424 175078493 /nfs/dbraw/zinc/07/84/93/175078493.db2.gz CCGAXGPNTNYXGR-GFCCVEGCSA-N 0 0 245.322 4.078 20 0 BIADRN CCCC(CCC)Nc1cccc(NC(C)=O)c1 ZINC000019917365 168582660 /nfs/dbraw/zinc/58/26/60/168582660.db2.gz ZTPDPXPHXOKOMZ-UHFFFAOYSA-N 0 0 248.370 4.026 20 0 BIADRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000019918157 347317656 /nfs/dbraw/zinc/31/76/56/347317656.db2.gz BCEJPVKGNNOGAN-SNVBAGLBSA-N 0 0 233.261 4.138 20 0 BIADRN C[C@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000019918159 347317578 /nfs/dbraw/zinc/31/75/78/347317578.db2.gz BCEJPVKGNNOGAN-JTQLQIEISA-N 0 0 233.261 4.138 20 0 BIADRN C[C@@H](Nc1ccc(F)c(F)c1)c1cccs1 ZINC000019918194 175930601 /nfs/dbraw/zinc/93/06/01/175930601.db2.gz GJTDSSPGXLHJMZ-MRVPVSSYSA-N 0 0 239.290 4.199 20 0 BIADRN C[C@H](Nc1ccc(F)c(F)c1)c1cccs1 ZINC000019918196 347317491 /nfs/dbraw/zinc/31/74/91/347317491.db2.gz GJTDSSPGXLHJMZ-QMMMGPOBSA-N 0 0 239.290 4.199 20 0 BIADRN Fc1ccc(N[C@@H]2CCc3ccccc32)cc1F ZINC000019918227 180979167 /nfs/dbraw/zinc/97/91/67/180979167.db2.gz WYPXYSINHWHAMA-OAHLLOKOSA-N 0 0 245.272 4.064 20 0 BIADRN Fc1ccc(N[C@H]2CCc3ccccc32)cc1F ZINC000019918229 347317495 /nfs/dbraw/zinc/31/74/95/347317495.db2.gz WYPXYSINHWHAMA-HNNXBMFYSA-N 0 0 245.272 4.064 20 0 BIADRN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)o1 ZINC000019918231 386735658 /nfs/dbraw/zinc/73/56/58/386735658.db2.gz ISQXQNFRTFPMHR-SECBINFHSA-N 0 0 237.249 4.039 20 0 BIADRN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2)o1 ZINC000019918233 386733541 /nfs/dbraw/zinc/73/35/41/386733541.db2.gz ISQXQNFRTFPMHR-VIFPVBQESA-N 0 0 237.249 4.039 20 0 BIADRN Cc1ccccc1[C@@H](C)Nc1ccc(F)c(F)c1 ZINC000019918297 179323747 /nfs/dbraw/zinc/32/37/47/179323747.db2.gz HUQISHWSVFOMBP-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1[C@H](C)Nc1ccc(F)c(F)c1 ZINC000019918299 179340879 /nfs/dbraw/zinc/34/08/79/179340879.db2.gz HUQISHWSVFOMBP-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(NCc2ccc(F)cc2F)cc1C ZINC000019920058 342963223 /nfs/dbraw/zinc/96/32/23/342963223.db2.gz VBXVRWUUJHMPET-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(NCc2ccccc2C)cc1C ZINC000019920068 178765124 /nfs/dbraw/zinc/76/51/24/178765124.db2.gz JDDPICNOOSFXQC-UHFFFAOYSA-N 0 0 225.335 4.224 20 0 BIADRN Cc1ccc(NCc2c(F)cccc2F)cc1C ZINC000019920072 347317525 /nfs/dbraw/zinc/31/75/25/347317525.db2.gz LQGDAQNMOHIJHI-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(NCc2ccc(F)c(F)c2)cc1C ZINC000019920074 347317825 /nfs/dbraw/zinc/31/78/25/347317825.db2.gz OTQZFONYZPEJEN-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccsc1CNc1ccc(C)c(C)c1 ZINC000019920093 347317818 /nfs/dbraw/zinc/31/78/18/347317818.db2.gz ZXDUFKBYWHMJJB-UHFFFAOYSA-N 0 0 231.364 4.285 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccc2)cc1C ZINC000019920112 178776709 /nfs/dbraw/zinc/77/67/09/178776709.db2.gz KLUUXNDBRJIYTJ-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccc2)cc1C ZINC000019920114 178771078 /nfs/dbraw/zinc/77/10/78/178771078.db2.gz KLUUXNDBRJIYTJ-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@@H]2CCc3ccccc32)cc1C ZINC000019920169 347317679 /nfs/dbraw/zinc/31/76/79/347317679.db2.gz XBBFRXYPLPCDHN-QGZVFWFLSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1ccc(N[C@H]2CCc3ccccc32)cc1C ZINC000019920170 347317704 /nfs/dbraw/zinc/31/77/04/347317704.db2.gz XBBFRXYPLPCDHN-KRWDZBQOSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1ccsc1CNc1cccc(Cl)c1 ZINC000019920323 347377456 /nfs/dbraw/zinc/37/74/56/347377456.db2.gz IDVPEUZPFNSZJB-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN Clc1cccc(NCc2ccsc2)c1 ZINC000019920326 342963051 /nfs/dbraw/zinc/96/30/51/342963051.db2.gz SBULKRIQPTWJOH-UHFFFAOYSA-N 0 0 223.728 4.014 20 0 BIADRN C[C@@H](Nc1cccc(Cl)c1)c1ccco1 ZINC000019920377 342963204 /nfs/dbraw/zinc/96/32/04/342963204.db2.gz JCANOEVWMPXNSA-SECBINFHSA-N 0 0 221.687 4.106 20 0 BIADRN C[C@H](Nc1cccc(Cl)c1)c1ccco1 ZINC000019920378 342963289 /nfs/dbraw/zinc/96/32/89/342963289.db2.gz JCANOEVWMPXNSA-VIFPVBQESA-N 0 0 221.687 4.106 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(Cl)c2)o1 ZINC000019920386 384559698 /nfs/dbraw/zinc/55/96/98/384559698.db2.gz YHYJNUWLGHCFSR-SNVBAGLBSA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(Cl)c2)o1 ZINC000019920388 347317748 /nfs/dbraw/zinc/31/77/48/347317748.db2.gz YHYJNUWLGHCFSR-JTQLQIEISA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(CNc2cccc(F)c2)c(C)c1 ZINC000019920521 347317783 /nfs/dbraw/zinc/31/77/83/347317783.db2.gz ZOXQIWLQVJYUHY-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Fc1cccc(NCc2ccccc2Cl)c1 ZINC000019920529 181001453 /nfs/dbraw/zinc/00/14/53/181001453.db2.gz MKDVJJAYPSLHOL-UHFFFAOYSA-N 0 0 235.689 4.091 20 0 BIADRN Fc1cccc(NCc2ccc(Cl)cc2)c1 ZINC000019920536 181002353 /nfs/dbraw/zinc/00/23/53/181002353.db2.gz NHYBIGVSLMQGDT-UHFFFAOYSA-N 0 0 235.689 4.091 20 0 BIADRN C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(F)c2)o1 ZINC000019920613 259385654 /nfs/dbraw/zinc/38/56/54/259385654.db2.gz BLULHKVADUYHOD-YGRLFVJLSA-N 0 0 245.297 4.154 20 0 BIADRN C[C@H]1C[C@@H]1c1ccc(CNc2cccc(F)c2)o1 ZINC000019920615 259385731 /nfs/dbraw/zinc/38/57/31/259385731.db2.gz BLULHKVADUYHOD-HZMBPMFUSA-N 0 0 245.297 4.154 20 0 BIADRN C[C@@H]1C[C@H]1c1ccc(CNc2cccc(F)c2)o1 ZINC000019920617 259385868 /nfs/dbraw/zinc/38/58/68/259385868.db2.gz BLULHKVADUYHOD-QMTHXVAHSA-N 0 0 245.297 4.154 20 0 BIADRN C[C@H]1C[C@H]1c1ccc(CNc2cccc(F)c2)o1 ZINC000019920618 259385867 /nfs/dbraw/zinc/38/58/67/259385867.db2.gz BLULHKVADUYHOD-IINYFYTJSA-N 0 0 245.297 4.154 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(F)c2)cc1 ZINC000019920657 385203432 /nfs/dbraw/zinc/20/34/32/385203432.db2.gz KDEUSNJPOISWBX-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(F)c2)cc1 ZINC000019920660 347317762 /nfs/dbraw/zinc/31/77/62/347317762.db2.gz KDEUSNJPOISWBX-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN CC[C@@H](Nc1cccc(F)c1)c1ccccc1 ZINC000019920662 517777967 /nfs/dbraw/zinc/77/79/67/517777967.db2.gz WCAGYPVPKBSIBN-OAHLLOKOSA-N 0 0 229.298 4.389 20 0 BIADRN CC[C@H](Nc1cccc(F)c1)c1ccccc1 ZINC000019920664 347317583 /nfs/dbraw/zinc/31/75/83/347317583.db2.gz WCAGYPVPKBSIBN-HNNXBMFYSA-N 0 0 229.298 4.389 20 0 BIADRN COc1ccccc1[C@@H](C)Nc1cccc(F)c1 ZINC000019920672 175346214 /nfs/dbraw/zinc/34/62/14/175346214.db2.gz PNGJOFDKJIFSEV-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccccc1[C@H](C)Nc1cccc(F)c1 ZINC000019920674 175352063 /nfs/dbraw/zinc/35/20/63/175352063.db2.gz PNGJOFDKJIFSEV-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN C[C@@H](Nc1cccc(F)c1)c1ccccc1F ZINC000019920723 347317758 /nfs/dbraw/zinc/31/77/58/347317758.db2.gz XWOTYSQWJYXTIE-SNVBAGLBSA-N 0 0 233.261 4.138 20 0 BIADRN C[C@H](Nc1cccc(F)c1)c1ccccc1F ZINC000019920725 347317670 /nfs/dbraw/zinc/31/76/70/347317670.db2.gz XWOTYSQWJYXTIE-JTQLQIEISA-N 0 0 233.261 4.138 20 0 BIADRN C[C@@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000019920733 347317700 /nfs/dbraw/zinc/31/77/00/347317700.db2.gz QAIWTMRFXSRZSS-SNVBAGLBSA-N 0 0 233.261 4.138 20 0 BIADRN C[C@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000019920735 347317776 /nfs/dbraw/zinc/31/77/76/347317776.db2.gz QAIWTMRFXSRZSS-JTQLQIEISA-N 0 0 233.261 4.138 20 0 BIADRN COc1ccc([C@@H](C)Nc2cccc(F)c2)cc1 ZINC000019920759 175177813 /nfs/dbraw/zinc/17/78/13/175177813.db2.gz FOSPYJSUFBVCTJ-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc([C@H](C)Nc2cccc(F)c2)cc1 ZINC000019920761 175190333 /nfs/dbraw/zinc/19/03/33/175190333.db2.gz FOSPYJSUFBVCTJ-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc([C@@H](C)Nc2cccc(F)c2)c1 ZINC000019920770 175287494 /nfs/dbraw/zinc/28/74/94/175287494.db2.gz MMLRRGWEJANXJL-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc([C@H](C)Nc2cccc(F)c2)c1 ZINC000019920772 175293862 /nfs/dbraw/zinc/29/38/62/175293862.db2.gz MMLRRGWEJANXJL-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN Cc1ccccc1[C@@H](C)Nc1cccc(F)c1 ZINC000019920845 179322907 /nfs/dbraw/zinc/32/29/07/179322907.db2.gz GCNOGAOIISVVJQ-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccccc1[C@H](C)Nc1cccc(F)c1 ZINC000019920848 179340069 /nfs/dbraw/zinc/34/00/69/179340069.db2.gz GCNOGAOIISVVJQ-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Fc1cccc(NCc2cccc(Cl)c2)c1 ZINC000019920934 181001999 /nfs/dbraw/zinc/00/19/99/181001999.db2.gz LDMJPNUUJQRVRK-UHFFFAOYSA-N 0 0 235.689 4.091 20 0 BIADRN C[C@@H](Nc1cccc(F)c1)c1cccc(F)c1 ZINC000019920953 347317637 /nfs/dbraw/zinc/31/76/37/347317637.db2.gz BGMMGGOWTCKUPC-SNVBAGLBSA-N 0 0 233.261 4.138 20 0 BIADRN C[C@H](Nc1cccc(F)c1)c1cccc(F)c1 ZINC000019920955 347317691 /nfs/dbraw/zinc/31/76/91/347317691.db2.gz BGMMGGOWTCKUPC-JTQLQIEISA-N 0 0 233.261 4.138 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(F)c2)s1 ZINC000019920979 385202757 /nfs/dbraw/zinc/20/27/57/385202757.db2.gz JUIZADDBLCKORX-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(F)c2)s1 ZINC000019920982 347317474 /nfs/dbraw/zinc/31/74/74/347317474.db2.gz 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178090796 /nfs/dbraw/zinc/09/07/96/178090796.db2.gz YVVRTGGHAPHHGK-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cc(F)ccc1N[C@@H](C)c1ccccc1 ZINC000019961104 178090773 /nfs/dbraw/zinc/09/07/73/178090773.db2.gz YVVRTGGHAPHHGK-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cc(F)ccc1N[C@H](C)c1cccs1 ZINC000019961161 178090662 /nfs/dbraw/zinc/09/06/62/178090662.db2.gz DFTWCBRTBURNSE-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)ccc1N[C@@H](C)c1cccs1 ZINC000019961165 178091427 /nfs/dbraw/zinc/09/14/27/178091427.db2.gz DFTWCBRTBURNSE-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)ccc1N[C@H](C)c1ccccc1F ZINC000019961173 178090884 /nfs/dbraw/zinc/09/08/84/178090884.db2.gz RTNDHNLSVSMGOL-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cc(F)ccc1N[C@@H](C)c1ccccc1F ZINC000019961177 178091365 /nfs/dbraw/zinc/09/13/65/178091365.db2.gz RTNDHNLSVSMGOL-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1cc(F)ccc1N[C@H](C)c1ccc(F)cc1 ZINC000019961189 178091446 /nfs/dbraw/zinc/09/14/46/178091446.db2.gz 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4.446 20 0 BIADRN Cc1cc(F)ccc1N[C@@H](C)c1cccc(F)c1 ZINC000019961456 178090530 /nfs/dbraw/zinc/09/05/30/178090530.db2.gz DMXVSAXVIGZBMB-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN CCc1cccc(NCc2ccc(F)cc2)c1 ZINC000019962058 385235694 /nfs/dbraw/zinc/23/56/94/385235694.db2.gz MDUCPZVUDFQLQG-UHFFFAOYSA-N 0 0 229.298 4.000 20 0 BIADRN CCc1cccc(NCc2ccc(F)cc2F)c1 ZINC000019962067 171863830 /nfs/dbraw/zinc/86/38/30/171863830.db2.gz YNSOCDUKZBXKOH-UHFFFAOYSA-N 0 0 247.288 4.139 20 0 BIADRN CCc1cccc(NCc2cccc(F)c2)c1 ZINC000019962073 385236801 /nfs/dbraw/zinc/23/68/01/385236801.db2.gz SDYIZXAOYBHTRY-UHFFFAOYSA-N 0 0 229.298 4.000 20 0 BIADRN CCc1cccc(NCc2c(F)cccc2F)c1 ZINC000019962081 171862718 /nfs/dbraw/zinc/86/27/18/171862718.db2.gz JTHQBXWNGIYZBB-UHFFFAOYSA-N 0 0 247.288 4.139 20 0 BIADRN CCc1cccc(NCc2ccc(F)c(F)c2)c1 ZINC000019962083 385235968 /nfs/dbraw/zinc/23/59/68/385235968.db2.gz GKBWOLIFVCXIKW-UHFFFAOYSA-N 0 0 247.288 4.139 20 0 BIADRN CCc1cccc(NCc2sccc2C)c1 ZINC000019962113 385235523 /nfs/dbraw/zinc/23/55/23/385235523.db2.gz YIUMYDBFAHQNTP-UHFFFAOYSA-N 0 0 231.364 4.231 20 0 BIADRN CCc1cccc(N[C@@H](C)c2ccccc2)c1 ZINC000019962134 171863962 /nfs/dbraw/zinc/86/39/62/171863962.db2.gz OBBVLGGIVXSYDU-ZDUSSCGKSA-N 0 0 225.335 4.422 20 0 BIADRN CCc1cccc(N[C@H](C)c2ccccc2)c1 ZINC000019962136 385236409 /nfs/dbraw/zinc/23/64/09/385236409.db2.gz OBBVLGGIVXSYDU-CYBMUJFWSA-N 0 0 225.335 4.422 20 0 BIADRN CCc1cccc(N[C@@H](C)c2cccs2)c1 ZINC000019962166 385236639 /nfs/dbraw/zinc/23/66/39/385236639.db2.gz FFLUIDCVTQWNDB-NSHDSACASA-N 0 0 231.364 4.484 20 0 BIADRN CCc1cccc(N[C@H](C)c2cccs2)c1 ZINC000019962168 385235395 /nfs/dbraw/zinc/23/53/95/385235395.db2.gz FFLUIDCVTQWNDB-LLVKDONJSA-N 0 0 231.364 4.484 20 0 BIADRN CCc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000019962178 171863342 /nfs/dbraw/zinc/86/33/42/171863342.db2.gz SIGGIEOEXWLTRD-NSHDSACASA-N 0 0 215.296 4.015 20 0 BIADRN CCc1cccc(N[C@H](C)c2ccco2)c1 ZINC000019962180 171863223 /nfs/dbraw/zinc/86/32/23/171863223.db2.gz SIGGIEOEXWLTRD-LLVKDONJSA-N 0 0 215.296 4.015 20 0 BIADRN CCc1cccc(N[C@@H](C)c2ccc(C)o2)c1 ZINC000019962190 385235632 /nfs/dbraw/zinc/23/56/32/385235632.db2.gz ZCPCDZCGWPLIJG-LBPRGKRZSA-N 0 0 229.323 4.324 20 0 BIADRN CCc1cccc(N[C@H](C)c2ccc(C)o2)c1 ZINC000019962192 385237193 /nfs/dbraw/zinc/23/71/93/385237193.db2.gz ZCPCDZCGWPLIJG-GFCCVEGCSA-N 0 0 229.323 4.324 20 0 BIADRN CCc1cccc(NCc2ccccc2F)c1 ZINC000019962293 385236325 /nfs/dbraw/zinc/23/63/25/385236325.db2.gz UEWRMUXDUKJRLO-UHFFFAOYSA-N 0 0 229.298 4.000 20 0 BIADRN COc1cccc(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000019964036 175280093 /nfs/dbraw/zinc/28/00/93/175280093.db2.gz MYXOSJOQHWKXPN-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc(N[C@H](C)c2ccc(C)cc2)c1 ZINC000019964037 175280293 /nfs/dbraw/zinc/28/02/93/175280293.db2.gz MYXOSJOQHWKXPN-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN CC[C@@H](Nc1cccc(OC)c1)c1ccccc1 ZINC000019964038 347329363 /nfs/dbraw/zinc/32/93/63/347329363.db2.gz FFTLBRVUEPLNLV-MRXNPFEDSA-N 0 0 241.334 4.258 20 0 BIADRN CC[C@H](Nc1cccc(OC)c1)c1ccccc1 ZINC000019964039 347329342 /nfs/dbraw/zinc/32/93/42/347329342.db2.gz FFTLBRVUEPLNLV-INIZCTEOSA-N 0 0 241.334 4.258 20 0 BIADRN COc1cccc(N[C@@H](C)c2ccccc2F)c1 ZINC000019964067 175280237 /nfs/dbraw/zinc/28/02/37/175280237.db2.gz VQMCARYXDWWRKY-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@H](C)c2ccccc2F)c1 ZINC000019964068 175280026 /nfs/dbraw/zinc/28/00/26/175280026.db2.gz VQMCARYXDWWRKY-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000019964071 175279862 /nfs/dbraw/zinc/27/98/62/175279862.db2.gz RCTWLMUQUICFAO-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@H](C)c2ccc(F)cc2)c1 ZINC000019964072 175279614 /nfs/dbraw/zinc/27/96/14/175279614.db2.gz RCTWLMUQUICFAO-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@@H](C)c2ccccc2C)c1 ZINC000019964123 175280366 /nfs/dbraw/zinc/28/03/66/175280366.db2.gz PIDSLNLNORTBLG-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc(N[C@H](C)c2ccccc2C)c1 ZINC000019964124 175280118 /nfs/dbraw/zinc/28/01/18/175280118.db2.gz PIDSLNLNORTBLG-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000019964185 175279883 /nfs/dbraw/zinc/27/98/83/175279883.db2.gz BSZXGFNKGBTROJ-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000019964186 175279635 /nfs/dbraw/zinc/27/96/35/175279635.db2.gz BSZXGFNKGBTROJ-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1cccc(N[C@@H](C)c2ccc(C)s2)c1 ZINC000019964199 175280275 /nfs/dbraw/zinc/28/02/75/175280275.db2.gz QGXWXPQKXVGYDQ-NSHDSACASA-N 0 0 247.363 4.238 20 0 BIADRN COc1cccc(N[C@H](C)c2ccc(C)s2)c1 ZINC000019964200 175280160 /nfs/dbraw/zinc/28/01/60/175280160.db2.gz QGXWXPQKXVGYDQ-LLVKDONJSA-N 0 0 247.363 4.238 20 0 BIADRN Cc1cccc(NCc2ccc(F)cc2F)c1C ZINC000019964223 179150595 /nfs/dbraw/zinc/15/05/95/179150595.db2.gz NCGSCLXBHSRNRH-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1cccc(NCc2c(F)cccc2F)c1C ZINC000019964231 179148171 /nfs/dbraw/zinc/14/81/71/179148171.db2.gz BBTRITZIOIONEP-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1cccc(NCc2ccc(F)c(F)c2)c1C ZINC000019964232 179150927 /nfs/dbraw/zinc/15/09/27/179150927.db2.gz ZMXRWHSPQNVSEP-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccsc1CNc1cccc(C)c1C ZINC000019964246 347329587 /nfs/dbraw/zinc/32/95/87/347329587.db2.gz SJQSJKBFUTYIIE-UHFFFAOYSA-N 0 0 231.364 4.285 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccccc2)c1C ZINC000019964257 179156728 /nfs/dbraw/zinc/15/67/28/179156728.db2.gz DFHBIFQXFDEWTC-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccccc2)c1C ZINC000019964258 179152981 /nfs/dbraw/zinc/15/29/81/179152981.db2.gz DFHBIFQXFDEWTC-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccco2)c1C ZINC000019964284 179156484 /nfs/dbraw/zinc/15/64/84/179156484.db2.gz FSTBIYYQBYYMSD-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccco2)c1C ZINC000019964285 179153294 /nfs/dbraw/zinc/15/32/94/179153294.db2.gz FSTBIYYQBYYMSD-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1cccc(N[C@@H]2CCc3ccccc32)c1C ZINC000019964290 179154829 /nfs/dbraw/zinc/15/48/29/179154829.db2.gz ZEHDGLLMYBSQOK-QGZVFWFLSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1cccc(N[C@H]2CCc3ccccc32)c1C ZINC000019964291 179157909 /nfs/dbraw/zinc/15/79/09/179157909.db2.gz ZEHDGLLMYBSQOK-KRWDZBQOSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cccc(C)c2C)o1 ZINC000019964292 385236685 /nfs/dbraw/zinc/23/66/85/385236685.db2.gz GMQXZSLYGJUCIG-CYBMUJFWSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1ccc([C@H](C)Nc2cccc(C)c2C)o1 ZINC000019964293 347329678 /nfs/dbraw/zinc/32/96/78/347329678.db2.gz GMQXZSLYGJUCIG-ZDUSSCGKSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccc(C)cc2)cc1 ZINC000019964408 347329753 /nfs/dbraw/zinc/32/97/53/347329753.db2.gz NWLDIFLIPICLAS-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000019964409 347329486 /nfs/dbraw/zinc/32/94/86/347329486.db2.gz NWLDIFLIPICLAS-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN COc1ccccc1[C@@H](C)Nc1ccc(C)cc1 ZINC000019964414 175346279 /nfs/dbraw/zinc/34/62/79/175346279.db2.gz QBYPGTKJHCMUPS-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccccc1[C@H](C)Nc1ccc(C)cc1 ZINC000019964415 175351817 /nfs/dbraw/zinc/35/18/17/175351817.db2.gz QBYPGTKJHCMUPS-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1ccc(N[C@H](C)c2c(F)cccc2F)cc1 ZINC000019964426 178775175 /nfs/dbraw/zinc/77/51/75/178775175.db2.gz KUPDJJWIBBNWQZ-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1 ZINC000019964427 347329271 /nfs/dbraw/zinc/32/92/71/347329271.db2.gz KUPDJJWIBBNWQZ-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccc2F)cc1 ZINC000019964437 347329844 /nfs/dbraw/zinc/32/98/44/347329844.db2.gz MMGVPKDJCJGEST-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccc2F)cc1 ZINC000019964438 347329758 /nfs/dbraw/zinc/32/97/58/347329758.db2.gz MMGVPKDJCJGEST-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2)cc1 ZINC000019964440 347329333 /nfs/dbraw/zinc/32/93/33/347329333.db2.gz KQYPKKSLKCBZEO-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000019964441 178771344 /nfs/dbraw/zinc/77/13/44/178771344.db2.gz KQYPKKSLKCBZEO-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN COc1ccc([C@@H](C)Nc2ccc(C)cc2)cc1 ZINC000019964450 175177682 /nfs/dbraw/zinc/17/76/82/175177682.db2.gz FVVBZQVHVBHKQC-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc([C@H](C)Nc2ccc(C)cc2)cc1 ZINC000019964451 175190041 /nfs/dbraw/zinc/19/00/41/175190041.db2.gz FVVBZQVHVBHKQC-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000019964452 347329623 /nfs/dbraw/zinc/32/96/23/347329623.db2.gz WPHUOQWOJSAGSO-MRXNPFEDSA-N 0 0 223.319 4.094 20 0 BIADRN Cc1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000019964453 347329503 /nfs/dbraw/zinc/32/95/03/347329503.db2.gz WPHUOQWOJSAGSO-INIZCTEOSA-N 0 0 223.319 4.094 20 0 BIADRN Cc1ccc([C@@H](C)Nc2ccc(C)cc2)o1 ZINC000019964454 347329816 /nfs/dbraw/zinc/32/98/16/347329816.db2.gz GEGSSSOHBGCGIJ-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc([C@H](C)Nc2ccc(C)cc2)o1 ZINC000019964455 347329294 /nfs/dbraw/zinc/32/92/94/347329294.db2.gz GEGSSSOHBGCGIJ-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN COc1cccc([C@@H](C)Nc2ccc(C)cc2)c1 ZINC000019964456 175287559 /nfs/dbraw/zinc/28/75/59/175287559.db2.gz RHMDUCAYBPUKDV-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc([C@H](C)Nc2ccc(C)cc2)c1 ZINC000019964457 175293953 /nfs/dbraw/zinc/29/39/53/175293953.db2.gz RHMDUCAYBPUKDV-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccc2C)cc1 ZINC000019964489 347329259 /nfs/dbraw/zinc/32/92/59/347329259.db2.gz CQXPGCVJNFKUFV-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccc2C)cc1 ZINC000019964490 347329278 /nfs/dbraw/zinc/32/92/78/347329278.db2.gz CQXPGCVJNFKUFV-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000019964495 347329466 /nfs/dbraw/zinc/32/94/66/347329466.db2.gz BDQKGWXPDYMWNZ-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000019964496 347329318 /nfs/dbraw/zinc/32/93/18/347329318.db2.gz BDQKGWXPDYMWNZ-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000019964497 178777236 /nfs/dbraw/zinc/77/72/36/178777236.db2.gz ITBBLHRXCPCGON-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000019964498 347329768 /nfs/dbraw/zinc/32/97/68/347329768.db2.gz ITBBLHRXCPCGON-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1 ZINC000019964508 347329421 /nfs/dbraw/zinc/32/94/21/347329421.db2.gz OVOHXBKTWQQANX-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000019964509 347329389 /nfs/dbraw/zinc/32/93/89/347329389.db2.gz OVOHXBKTWQQANX-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(N[C@H](C)c2cccc(F)c2)cc1 ZINC000019964540 347329582 /nfs/dbraw/zinc/32/95/82/347329582.db2.gz SYDDMGHNDXIXIP-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cccc(F)c2)cc1 ZINC000019964541 347329283 /nfs/dbraw/zinc/32/92/83/347329283.db2.gz SYDDMGHNDXIXIP-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1ccc(C)c(NCc2ccc(F)cc2F)c1 ZINC000019964570 387822094 /nfs/dbraw/zinc/82/20/94/387822094.db2.gz YMOJNCJDXBWDEJ-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(C)c(NCc2c(F)cccc2F)c1 ZINC000019964575 178484605 /nfs/dbraw/zinc/48/46/05/178484605.db2.gz AHAYJDKLYLKXDN-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccc(C)c(NCc2ccc(F)c(F)c2)c1 ZINC000019964576 385235745 /nfs/dbraw/zinc/23/57/45/385235745.db2.gz RCBSHSZIKAOIOG-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1ccsc1CNc1cc(C)ccc1C ZINC000019964587 385236757 /nfs/dbraw/zinc/23/67/57/385236757.db2.gz YOSXZDWXQIWXBQ-UHFFFAOYSA-N 0 0 231.364 4.285 20 0 BIADRN Cc1ccc(C)c(N[C@H](C)c2ccccc2)c1 ZINC000019964598 385235209 /nfs/dbraw/zinc/23/52/09/385235209.db2.gz SCLWDOGVUTZFGB-CQSZACIVSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(C)c(N[C@@H](C)c2ccccc2)c1 ZINC000019964599 178485477 /nfs/dbraw/zinc/48/54/77/178485477.db2.gz SCLWDOGVUTZFGB-AWEZNQCLSA-N 0 0 225.335 4.477 20 0 BIADRN Cc1ccc(C)c(N[C@H](C)c2ccco2)c1 ZINC000019964620 385235110 /nfs/dbraw/zinc/23/51/10/385235110.db2.gz IRZDEADKTNXXGP-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc(C)c(N[C@@H](C)c2ccco2)c1 ZINC000019964621 178485825 /nfs/dbraw/zinc/48/58/25/178485825.db2.gz IRZDEADKTNXXGP-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cc(C)ccc2C)o1 ZINC000019964626 385235009 /nfs/dbraw/zinc/23/50/09/385235009.db2.gz BOGBJIOXSACOEF-CYBMUJFWSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1ccc([C@H](C)Nc2cc(C)ccc2C)o1 ZINC000019964627 385236001 /nfs/dbraw/zinc/23/60/01/385236001.db2.gz BOGBJIOXSACOEF-ZDUSSCGKSA-N 0 0 229.323 4.378 20 0 BIADRN COc1ccc(N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000019964737 175154249 /nfs/dbraw/zinc/15/42/49/175154249.db2.gz PIJHHFWQTLZEJT-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc(N[C@H](C)c2ccc(C)cc2)cc1 ZINC000019964738 175154679 /nfs/dbraw/zinc/15/46/79/175154679.db2.gz PIJHHFWQTLZEJT-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN CC[C@@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000019964739 170916267 /nfs/dbraw/zinc/91/62/67/170916267.db2.gz XZEZWPVDTSZKSB-MRXNPFEDSA-N 0 0 241.334 4.258 20 0 BIADRN CC[C@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000019964740 171550961 /nfs/dbraw/zinc/55/09/61/171550961.db2.gz XZEZWPVDTSZKSB-INIZCTEOSA-N 0 0 241.334 4.258 20 0 BIADRN COc1ccc(N[C@@H](C)c2ccccc2F)cc1 ZINC000019964766 175154152 /nfs/dbraw/zinc/15/41/52/175154152.db2.gz LHOLKQFAXYTWHD-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@H](C)c2ccccc2F)cc1 ZINC000019964767 175154838 /nfs/dbraw/zinc/15/48/38/175154838.db2.gz LHOLKQFAXYTWHD-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000019964769 175154061 /nfs/dbraw/zinc/15/40/61/175154061.db2.gz XKGUXDQPSVAPJB-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@H](C)c2ccc(F)cc2)cc1 ZINC000019964770 175154931 /nfs/dbraw/zinc/15/49/31/175154931.db2.gz XKGUXDQPSVAPJB-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@@H](C)c2ccccc2C)cc1 ZINC000019964818 175154025 /nfs/dbraw/zinc/15/40/25/175154025.db2.gz XCKHIZKTQCUIBE-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc(N[C@H](C)c2ccccc2C)cc1 ZINC000019964819 175154475 /nfs/dbraw/zinc/15/44/75/175154475.db2.gz XCKHIZKTQCUIBE-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1ccc(N[C@@H](C)c2cccc(F)c2)cc1 ZINC000019964879 175154400 /nfs/dbraw/zinc/15/44/00/175154400.db2.gz BHSZJZKVINUUMY-NSHDSACASA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@H](C)c2cccc(F)c2)cc1 ZINC000019964880 175154879 /nfs/dbraw/zinc/15/48/79/175154879.db2.gz BHSZJZKVINUUMY-LLVKDONJSA-N 0 0 245.297 4.007 20 0 BIADRN COc1ccc(N[C@@H](C)c2ccc(C)s2)cc1 ZINC000019964892 175154397 /nfs/dbraw/zinc/15/43/97/175154397.db2.gz PWOPVDYPCXAGGF-NSHDSACASA-N 0 0 247.363 4.238 20 0 BIADRN COc1ccc(N[C@H](C)c2ccc(C)s2)cc1 ZINC000019964893 175154814 /nfs/dbraw/zinc/15/48/14/175154814.db2.gz PWOPVDYPCXAGGF-LLVKDONJSA-N 0 0 247.363 4.238 20 0 BIADRN Cc1ccccc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019964952 179305872 /nfs/dbraw/zinc/30/58/72/179305872.db2.gz BHSFFKJFSXFBSP-OCCSQVGLSA-N 0 0 241.334 4.324 20 0 BIADRN Cc1ccccc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019964953 179306169 /nfs/dbraw/zinc/30/61/69/179306169.db2.gz BHSFFKJFSXFBSP-JSGCOSHPSA-N 0 0 241.334 4.324 20 0 BIADRN Cc1ccccc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019964954 179306338 /nfs/dbraw/zinc/30/63/38/179306338.db2.gz BHSFFKJFSXFBSP-TZMCWYRMSA-N 0 0 241.334 4.324 20 0 BIADRN Cc1ccccc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019964955 179305518 /nfs/dbraw/zinc/30/55/18/179305518.db2.gz BHSFFKJFSXFBSP-GXTWGEPZSA-N 0 0 241.334 4.324 20 0 BIADRN Cc1ccccc1N[C@H](C)c1c(F)cccc1F ZINC000019964984 179306991 /nfs/dbraw/zinc/30/69/91/179306991.db2.gz LQRDEHGKPXXCTP-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1c(F)cccc1F ZINC000019964985 179306156 /nfs/dbraw/zinc/30/61/56/179306156.db2.gz LQRDEHGKPXXCTP-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN 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/nfs/dbraw/zinc/30/66/30/179306630.db2.gz MFAZNAPDAWTWAH-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000019965057 179305454 /nfs/dbraw/zinc/30/54/54/179305454.db2.gz MFAZNAPDAWTWAH-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@H](C)c1ccc(F)cc1F ZINC000019965058 179306968 /nfs/dbraw/zinc/30/69/68/179306968.db2.gz IXLBAMUQQQQCDY-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1ccc(F)cc1F ZINC000019965059 179306275 /nfs/dbraw/zinc/30/62/75/179306275.db2.gz IXLBAMUQQQQCDY-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@H](C)c1cc(F)ccc1F ZINC000019965069 179307432 /nfs/dbraw/zinc/30/74/32/179307432.db2.gz LPHBPPUCEMMBFY-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1cc(F)ccc1F ZINC000019965070 179305578 /nfs/dbraw/zinc/30/55/78/179305578.db2.gz LPHBPPUCEMMBFY-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccccc1NCc1c(F)cccc1Cl ZINC000019965092 179305716 /nfs/dbraw/zinc/30/57/16/179305716.db2.gz 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JKOSLYRDNAZFIH-GFCCVEGCSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1cc([C@H](C)Nc2cccc(C)c2)c(C)o1 ZINC000020437276 259396826 /nfs/dbraw/zinc/39/68/26/259396826.db2.gz JKOSLYRDNAZFIH-LBPRGKRZSA-N 0 0 229.323 4.378 20 0 BIADRN COc1ccccc1N[C@@H](C)c1cc(C)oc1C ZINC000020437508 538931919 /nfs/dbraw/zinc/93/19/19/538931919.db2.gz KGOALUFHIVVBTK-NSHDSACASA-N 0 0 245.322 4.078 20 0 BIADRN COc1ccccc1N[C@H](C)c1cc(C)oc1C ZINC000020437511 538931988 /nfs/dbraw/zinc/93/19/88/538931988.db2.gz KGOALUFHIVVBTK-LLVKDONJSA-N 0 0 245.322 4.078 20 0 BIADRN Cc1cc([C@@H](C)Nc2cccc(F)c2)c(C)o1 ZINC000020438176 178234561 /nfs/dbraw/zinc/23/45/61/178234561.db2.gz LPTCBPXLUZXQQZ-SNVBAGLBSA-N 0 0 233.286 4.209 20 0 BIADRN Cc1cc([C@H](C)Nc2cccc(F)c2)c(C)o1 ZINC000020438178 178260250 /nfs/dbraw/zinc/26/02/50/178260250.db2.gz LPTCBPXLUZXQQZ-JTQLQIEISA-N 0 0 233.286 4.209 20 0 BIADRN Cc1cc([C@@H](C)Nc2ccc(F)cc2)c(C)o1 ZINC000020438228 178234016 /nfs/dbraw/zinc/23/40/16/178234016.db2.gz KHVDCWDMIRZVIG-SNVBAGLBSA-N 0 0 233.286 4.209 20 0 BIADRN Cc1cc([C@H](C)Nc2ccc(F)cc2)c(C)o1 ZINC000020438232 178259304 /nfs/dbraw/zinc/25/93/04/178259304.db2.gz KHVDCWDMIRZVIG-JTQLQIEISA-N 0 0 233.286 4.209 20 0 BIADRN COc1cccc(N[C@@H](C)c2cc(C)oc2C)c1 ZINC000020438431 175279670 /nfs/dbraw/zinc/27/96/70/175279670.db2.gz CIWFPNXOKISOHG-NSHDSACASA-N 0 0 245.322 4.078 20 0 BIADRN COc1cccc(N[C@H](C)c2cc(C)oc2C)c1 ZINC000020438433 175280171 /nfs/dbraw/zinc/28/01/71/175280171.db2.gz CIWFPNXOKISOHG-LLVKDONJSA-N 0 0 245.322 4.078 20 0 BIADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2)c(C)o1 ZINC000020438443 259396795 /nfs/dbraw/zinc/39/67/95/259396795.db2.gz BSPBHJJMYAEXRY-GFCCVEGCSA-N 0 0 229.323 4.378 20 0 BIADRN Cc1cc([C@H](C)Nc2ccc(C)cc2)c(C)o1 ZINC000020438446 259397034 /nfs/dbraw/zinc/39/70/34/259397034.db2.gz BSPBHJJMYAEXRY-LBPRGKRZSA-N 0 0 229.323 4.378 20 0 BIADRN COc1ccc(N[C@@H](C)c2cc(C)oc2C)cc1 ZINC000020438455 590110423 /nfs/dbraw/zinc/11/04/23/590110423.db2.gz AUNIRFNTCQPDQV-NSHDSACASA-N 0 0 245.322 4.078 20 0 BIADRN COc1ccc(N[C@H](C)c2cc(C)oc2C)cc1 ZINC000020438458 590110138 /nfs/dbraw/zinc/11/01/38/590110138.db2.gz AUNIRFNTCQPDQV-LLVKDONJSA-N 0 0 245.322 4.078 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccco2)c(Cl)c1 ZINC000020471247 259397976 /nfs/dbraw/zinc/39/79/76/259397976.db2.gz FKQRPMUYHFCTPK-SNVBAGLBSA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccco2)c(Cl)c1 ZINC000020471248 259398053 /nfs/dbraw/zinc/39/80/53/259398053.db2.gz FKQRPMUYHFCTPK-JTQLQIEISA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(N[C@H](C)c2cccnc2)c(Cl)c1 ZINC000020471262 259397884 /nfs/dbraw/zinc/39/78/84/259397884.db2.gz JHZVNUUOTGENGI-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cccnc2)c(Cl)c1 ZINC000020471263 259397855 /nfs/dbraw/zinc/39/78/55/259397855.db2.gz JHZVNUUOTGENGI-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccncc2)c(Cl)c1 ZINC000020471264 259397882 /nfs/dbraw/zinc/39/78/82/259397882.db2.gz QXLLIDLCQDJEQL-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000020471265 259397979 /nfs/dbraw/zinc/39/79/79/259397979.db2.gz QXLLIDLCQDJEQL-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccccn2)c(Cl)c1 ZINC000020471266 347424715 /nfs/dbraw/zinc/42/47/15/347424715.db2.gz FNYCKGOIDFCVDR-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000020471267 347424926 /nfs/dbraw/zinc/42/49/26/347424926.db2.gz FNYCKGOIDFCVDR-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(NCc2ccsc2)c(Cl)c1 ZINC000020471313 342986232 /nfs/dbraw/zinc/98/62/32/342986232.db2.gz YWIUVCCDKPCUQW-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN Cc1ccc(CNc2ccc(C)cc2Cl)o1 ZINC000020471316 342986221 /nfs/dbraw/zinc/98/62/21/342986221.db2.gz YHFDKKWHENILKH-UHFFFAOYSA-N 0 0 235.714 4.162 20 0 BIADRN Cc1ccc(CNc2cc(C)ccc2F)s1 ZINC000020471571 347424949 /nfs/dbraw/zinc/42/49/49/347424949.db2.gz APAXDFNWSJELQM-UHFFFAOYSA-N 0 0 235.327 4.116 20 0 BIADRN Cc1ccc(F)c(N[C@H](C)c2cccc(F)c2)c1 ZINC000020471627 347424615 /nfs/dbraw/zinc/42/46/15/347424615.db2.gz UWSUBOMMHAFIGS-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(F)c(N[C@@H](C)c2cccc(F)c2)c1 ZINC000020471628 178677198 /nfs/dbraw/zinc/67/71/98/178677198.db2.gz UWSUBOMMHAFIGS-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(F)c(N[C@H](C)c2cccc(O)c2)c1 ZINC000020471692 259398126 /nfs/dbraw/zinc/39/81/26/259398126.db2.gz IGPAAGNVFQTONJ-LLVKDONJSA-N 0 0 245.297 4.013 20 0 BIADRN Cc1ccc(F)c(N[C@@H](C)c2cccc(O)c2)c1 ZINC000020471693 259397914 /nfs/dbraw/zinc/39/79/14/259397914.db2.gz IGPAAGNVFQTONJ-NSHDSACASA-N 0 0 245.297 4.013 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cc(C)ccc2F)o1 ZINC000020471740 259397868 /nfs/dbraw/zinc/39/78/68/259397868.db2.gz RSHHBWRNIJNDDQ-LLVKDONJSA-N 0 0 233.286 4.209 20 0 BIADRN Cc1ccc([C@H](C)Nc2cc(C)ccc2F)o1 ZINC000020471741 259398180 /nfs/dbraw/zinc/39/81/80/259398180.db2.gz RSHHBWRNIJNDDQ-NSHDSACASA-N 0 0 233.286 4.209 20 0 BIADRN Cc1ccc(F)c(N[C@@H]2CCc3ccccc32)c1 ZINC000020471742 259397830 /nfs/dbraw/zinc/39/78/30/259397830.db2.gz AZEMYIOKKAEAEI-OAHLLOKOSA-N 0 0 241.309 4.234 20 0 BIADRN Cc1ccc(F)c(N[C@H]2CCc3ccccc32)c1 ZINC000020471743 259398116 /nfs/dbraw/zinc/39/81/16/259398116.db2.gz AZEMYIOKKAEAEI-HNNXBMFYSA-N 0 0 241.309 4.234 20 0 BIADRN Cc1ccc(F)c(N[C@H](C)c2ccccc2F)c1 ZINC000020471754 259398017 /nfs/dbraw/zinc/39/80/17/259398017.db2.gz YXWRFEOQHHKKGT-LLVKDONJSA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccc(F)c(N[C@@H](C)c2ccccc2F)c1 ZINC000020471755 259397885 /nfs/dbraw/zinc/39/78/85/259397885.db2.gz YXWRFEOQHHKKGT-NSHDSACASA-N 0 0 247.288 4.446 20 0 BIADRN Cc1ccsc1CNc1cc(C)ccc1F ZINC000020471811 259397908 /nfs/dbraw/zinc/39/79/08/259397908.db2.gz MUWCSTMYJVNPGF-UHFFFAOYSA-N 0 0 235.327 4.116 20 0 BIADRN CC(C)Oc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000020472750 643062513 /nfs/dbraw/zinc/06/25/13/643062513.db2.gz FMJXDLGCRCCKGA-AWEZNQCLSA-N 0 0 245.366 4.242 20 0 BIADRN CC(C)Oc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000020472751 643063518 /nfs/dbraw/zinc/06/35/18/643063518.db2.gz FMJXDLGCRCCKGA-CQSZACIVSA-N 0 0 245.366 4.242 20 0 BIADRN CCC[C@@H](C)Nc1ccc(OC(C)C)cc1 ZINC000020472778 590115757 /nfs/dbraw/zinc/11/57/57/590115757.db2.gz QNCLTJMCKYXXNM-GFCCVEGCSA-N 0 0 221.344 4.074 20 0 BIADRN CCC[C@H](C)Nc1ccc(OC(C)C)cc1 ZINC000020472780 590115953 /nfs/dbraw/zinc/11/59/53/590115953.db2.gz QNCLTJMCKYXXNM-LBPRGKRZSA-N 0 0 221.344 4.074 20 0 BIADRN CC(C)Oc1ccc(NCc2ccccc2)cc1 ZINC000020472802 167297397 /nfs/dbraw/zinc/29/73/97/167297397.db2.gz BYJHDLLYQHQWEL-UHFFFAOYSA-N 0 0 241.334 4.086 20 0 BIADRN CCC(CC)Nc1ccc(OC(C)C)cc1 ZINC000020472898 590115785 /nfs/dbraw/zinc/11/57/85/590115785.db2.gz UKYHAYYNRGGPKP-UHFFFAOYSA-N 0 0 221.344 4.074 20 0 BIADRN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)s1 ZINC000020473327 397965585 /nfs/dbraw/zinc/96/55/85/397965585.db2.gz PXZSTJFZKHQLNJ-LLVKDONJSA-N 0 0 249.354 4.046 20 0 BIADRN Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)s1 ZINC000020473328 397965612 /nfs/dbraw/zinc/96/56/12/397965612.db2.gz PXZSTJFZKHQLNJ-NSHDSACASA-N 0 0 249.354 4.046 20 0 BIADRN CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000020473429 357009659 /nfs/dbraw/zinc/00/96/59/357009659.db2.gz ZTSKVPIEZYDERM-MRXNPFEDSA-N 0 0 243.325 4.067 20 0 BIADRN CCc1ccc(CNc2c(F)cccc2F)cc1 ZINC000020476318 171812758 /nfs/dbraw/zinc/81/27/58/171812758.db2.gz BYLYBPODEYQHCS-UHFFFAOYSA-N 0 0 247.288 4.139 20 0 BIADRN Cc1cc(C)c(CNc2ccc(F)cc2)c(C)c1 ZINC000020545515 385466256 /nfs/dbraw/zinc/46/62/56/385466256.db2.gz UZQSSOUOXHBJIQ-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN CCc1cccc(NCc2ccc(C)cc2)c1 ZINC000020545524 171862453 /nfs/dbraw/zinc/86/24/53/171862453.db2.gz SGJAMSFAOAEGOK-UHFFFAOYSA-N 0 0 225.335 4.170 20 0 BIADRN CC[C@@H](Nc1ccc(F)cc1)c1cccs1 ZINC000020546153 259399727 /nfs/dbraw/zinc/39/97/27/259399727.db2.gz MYMROKNMRJHRSM-GFCCVEGCSA-N 0 0 235.327 4.450 20 0 BIADRN CC[C@H](Nc1ccc(F)cc1)c1cccs1 ZINC000020546154 259399443 /nfs/dbraw/zinc/39/94/43/259399443.db2.gz MYMROKNMRJHRSM-LBPRGKRZSA-N 0 0 235.327 4.450 20 0 BIADRN Cc1ccc(F)cc1NCc1ccccc1Cl ZINC000020546562 259399339 /nfs/dbraw/zinc/39/93/39/259399339.db2.gz PRKUZHRAOLFTPG-UHFFFAOYSA-N 0 0 249.716 4.400 20 0 BIADRN Cc1cc(F)ccc1NCc1ccccc1Cl ZINC000020548815 178089442 /nfs/dbraw/zinc/08/94/42/178089442.db2.gz VQGHLFDJEMOVDC-UHFFFAOYSA-N 0 0 249.716 4.400 20 0 BIADRN CCc1ccc(NCc2cccc(C)c2)cc1 ZINC000020549617 385466727 /nfs/dbraw/zinc/46/67/27/385466727.db2.gz UYEXSBRYJPDLFU-UHFFFAOYSA-N 0 0 225.335 4.170 20 0 BIADRN Cc1nc2cc(N[C@H]3CCCC[C@H]3C)ccc2o1 ZINC000020550513 180084575 /nfs/dbraw/zinc/08/45/75/180084575.db2.gz ISQCMDBYYHJKJQ-MFKMUULPSA-N 0 0 244.338 4.127 20 0 BIADRN Cc1nc2cc(N[C@H]3CCCC[C@@H]3C)ccc2o1 ZINC000020550515 180083163 /nfs/dbraw/zinc/08/31/63/180083163.db2.gz ISQCMDBYYHJKJQ-GWCFXTLKSA-N 0 0 244.338 4.127 20 0 BIADRN Cc1nc2cc(N[C@@H]3CCCC[C@H]3C)ccc2o1 ZINC000020550517 180084068 /nfs/dbraw/zinc/08/40/68/180084068.db2.gz ISQCMDBYYHJKJQ-ZWNOBZJWSA-N 0 0 244.338 4.127 20 0 BIADRN Cc1nc2cc(N[C@@H]3CCCC[C@@H]3C)ccc2o1 ZINC000020550519 180083375 /nfs/dbraw/zinc/08/33/75/180083375.db2.gz ISQCMDBYYHJKJQ-GXFFZTMASA-N 0 0 244.338 4.127 20 0 BIADRN CCc1ccccc1NC[C@H]1CC=CCC1 ZINC000020551661 259399695 /nfs/dbraw/zinc/39/96/95/259399695.db2.gz BGYOWZMIWMUAKP-ZDUSSCGKSA-N 0 0 215.340 4.017 20 0 BIADRN CCc1ccccc1NC[C@@H]1CC=CCC1 ZINC000020551663 259399621 /nfs/dbraw/zinc/39/96/21/259399621.db2.gz BGYOWZMIWMUAKP-CYBMUJFWSA-N 0 0 215.340 4.017 20 0 BIADRN Cc1cccc(CNc2ccc3c(c2)CCC3)c1 ZINC000020551719 259399822 /nfs/dbraw/zinc/39/98/22/259399822.db2.gz RUAXIJDPGAEJJP-UHFFFAOYSA-N 0 0 237.346 4.096 20 0 BIADRN CCCc1ccc(NCc2cccs2)cc1 ZINC000020552065 590120814 /nfs/dbraw/zinc/12/08/14/590120814.db2.gz GHZSBWMHMBUQJQ-UHFFFAOYSA-N 0 0 231.364 4.313 20 0 BIADRN CC(C)c1cccc(NCc2ccsc2)c1 ZINC000020553124 259399283 /nfs/dbraw/zinc/39/92/83/259399283.db2.gz LCZJWMANVHEWOF-UHFFFAOYSA-N 0 0 231.364 4.484 20 0 BIADRN CCc1ccc(CNc2cccc(CC)c2)s1 ZINC000020553359 259399739 /nfs/dbraw/zinc/39/97/39/259399739.db2.gz SZUYJFAHITXVND-UHFFFAOYSA-N 0 0 245.391 4.485 20 0 BIADRN 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0 247.288 4.194 20 0 BIADRN Cc1ccc(NCc2cccc(F)c2F)c(C)c1 ZINC000035223741 178764121 /nfs/dbraw/zinc/76/41/21/178764121.db2.gz GGBYPYPFPZRWBQ-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN CCc1ccccc1NCc1cccc(F)c1F ZINC000035224199 387563393 /nfs/dbraw/zinc/56/33/93/387563393.db2.gz ZFUAJQRTXXXIAW-UHFFFAOYSA-N 0 0 247.288 4.139 20 0 BIADRN CC(=O)CCCSc1ccc2ccccc2c1 ZINC000035229069 188285175 /nfs/dbraw/zinc/28/51/75/188285175.db2.gz WPERVEMIEHQPHK-UHFFFAOYSA-N 0 0 244.359 4.301 20 0 BIADRN CC(C)c1ccc(S[C@@H]2CCCCC2=O)cc1 ZINC000035230751 387564427 /nfs/dbraw/zinc/56/44/27/387564427.db2.gz RPJGLHBBJCYQQT-OAHLLOKOSA-N 0 0 248.391 4.414 20 0 BIADRN CC(C)c1ccc(S[C@H]2CCCCC2=O)cc1 ZINC000035230752 387563148 /nfs/dbraw/zinc/56/31/48/387563148.db2.gz RPJGLHBBJCYQQT-HNNXBMFYSA-N 0 0 248.391 4.414 20 0 BIADRN CC(=O)CCCSc1ccc(C(C)C)cc1 ZINC000035230838 188457786 /nfs/dbraw/zinc/45/77/86/188457786.db2.gz VZKODDLJTVQARX-UHFFFAOYSA-N 0 0 236.380 4.271 20 0 BIADRN CCCc1ccccc1NCc1cccc(F)c1 ZINC000035252534 387560826 /nfs/dbraw/zinc/56/08/26/387560826.db2.gz GWYNDOKWNSYXHP-UHFFFAOYSA-N 0 0 243.325 4.390 20 0 BIADRN CCCc1ccccc1NCc1ccccc1F ZINC000035252548 387560429 /nfs/dbraw/zinc/56/04/29/387560429.db2.gz FVBKOIRSFAGIRG-UHFFFAOYSA-N 0 0 243.325 4.390 20 0 BIADRN Cc1cccc(N[C@@H](C)CCc2ccco2)c1 ZINC000035450491 179153156 /nfs/dbraw/zinc/15/31/56/179153156.db2.gz ZMPAJIYYPSNPQN-ZDUSSCGKSA-N 0 0 229.323 4.021 20 0 BIADRN Cc1cccc(N[C@H](C)CCc2ccco2)c1 ZINC000035450494 179156780 /nfs/dbraw/zinc/15/67/80/179156780.db2.gz ZMPAJIYYPSNPQN-CYBMUJFWSA-N 0 0 229.323 4.021 20 0 BIADRN Cc1ccccc1N[C@@H](C)CCc1ccco1 ZINC000035451405 179306252 /nfs/dbraw/zinc/30/62/52/179306252.db2.gz ZYCKLBPRTGUEGN-ZDUSSCGKSA-N 0 0 229.323 4.021 20 0 BIADRN Cc1ccccc1N[C@H](C)CCc1ccco1 ZINC000035451409 179307317 /nfs/dbraw/zinc/30/73/17/179307317.db2.gz ZYCKLBPRTGUEGN-CYBMUJFWSA-N 0 0 229.323 4.021 20 0 BIADRN CCC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035581918 387575510 /nfs/dbraw/zinc/57/55/10/387575510.db2.gz MFKPXSCQTUTSBP-ZDUSSCGKSA-N 0 0 241.325 4.052 20 0 BIADRN CCC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035581919 387574539 /nfs/dbraw/zinc/57/45/39/387574539.db2.gz MFKPXSCQTUTSBP-CYBMUJFWSA-N 0 0 241.325 4.052 20 0 BIADRN c1ccc2c(c1)cccc2NC1CCSCC1 ZINC000035651881 383866398 /nfs/dbraw/zinc/86/63/98/383866398.db2.gz BZTGANMDVRXYJE-UHFFFAOYSA-N 0 0 243.375 4.147 20 0 BIADRN CC(C)(C)c1ccc(NC2CCSCC2)cc1 ZINC000035651894 387577683 /nfs/dbraw/zinc/57/76/83/387577683.db2.gz PQWGJGSCIQVMDM-UHFFFAOYSA-N 0 0 249.423 4.292 20 0 BIADRN CC(C)c1ccc(NC2CCSCC2)cc1 ZINC000035651923 387577050 /nfs/dbraw/zinc/57/70/50/387577050.db2.gz TUZZCAUDQLTWPJ-UHFFFAOYSA-N 0 0 235.396 4.118 20 0 BIADRN CC(C)c1cccc(NC2CCSCC2)c1 ZINC000035651993 262847438 /nfs/dbraw/zinc/84/74/38/262847438.db2.gz KEBRCSVFTRINHF-UHFFFAOYSA-N 0 0 235.396 4.118 20 0 BIADRN CCCCc1ccc(NC2CCSCC2)cc1 ZINC000035651996 169021950 /nfs/dbraw/zinc/02/19/50/169021950.db2.gz UPTCPLGIBPIGNP-UHFFFAOYSA-N 0 0 249.423 4.337 20 0 BIADRN c1cc2c(ccnc2NC2CCCCC2)s1 ZINC000035687670 358182198 /nfs/dbraw/zinc/18/21/98/358182198.db2.gz XTFMVDATIHNUDZ-UHFFFAOYSA-N 0 0 232.352 4.041 20 0 BIADRN C[C@@H]1CCCC[C@@H]1Nc1nccc2sccc21 ZINC000035687726 176081494 /nfs/dbraw/zinc/08/14/94/176081494.db2.gz XJDCNILTSIRVAL-PWSUYJOCSA-N 0 0 246.379 4.287 20 0 BIADRN C[C@H]1CCCC[C@@H]1Nc1nccc2sccc21 ZINC000035687727 177083542 /nfs/dbraw/zinc/08/35/42/177083542.db2.gz XJDCNILTSIRVAL-JQWIXIFHSA-N 0 0 246.379 4.287 20 0 BIADRN C[C@@H]1CCCC[C@H]1Nc1nccc2sccc21 ZINC000035687728 176089603 /nfs/dbraw/zinc/08/96/03/176089603.db2.gz XJDCNILTSIRVAL-ZYHUDNBSSA-N 0 0 246.379 4.287 20 0 BIADRN C[C@H]1CCCC[C@H]1Nc1nccc2sccc21 ZINC000035687729 177089845 /nfs/dbraw/zinc/08/98/45/177089845.db2.gz XJDCNILTSIRVAL-CMPLNLGQSA-N 0 0 246.379 4.287 20 0 BIADRN c1cc2c(ccnc2NC2CCCCCC2)s1 ZINC000035687755 183378277 /nfs/dbraw/zinc/37/82/77/183378277.db2.gz QBDCLWDMGHEIOA-UHFFFAOYSA-N 0 0 246.379 4.431 20 0 BIADRN C[C@@H]1CCC[C@H](Nc2nccc3sccc32)C1 ZINC000035687761 176145895 /nfs/dbraw/zinc/14/58/95/176145895.db2.gz IOXCMBNODQMKLZ-MNOVXSKESA-N 0 0 246.379 4.287 20 0 BIADRN C[C@H]1CCC[C@H](Nc2nccc3sccc32)C1 ZINC000035687762 177137965 /nfs/dbraw/zinc/13/79/65/177137965.db2.gz IOXCMBNODQMKLZ-QWRGUYRKSA-N 0 0 246.379 4.287 20 0 BIADRN C[C@@H]1CCC[C@@H](Nc2nccc3sccc32)C1 ZINC000035687763 176125334 /nfs/dbraw/zinc/12/53/34/176125334.db2.gz IOXCMBNODQMKLZ-GHMZBOCLSA-N 0 0 246.379 4.287 20 0 BIADRN C[C@H]1CCC[C@@H](Nc2nccc3sccc32)C1 ZINC000035687764 358182889 /nfs/dbraw/zinc/18/28/89/358182889.db2.gz IOXCMBNODQMKLZ-WDEREUQCSA-N 0 0 246.379 4.287 20 0 BIADRN c1cc2c(ccnc2NCC2CCCCC2)s1 ZINC000035687766 183378760 /nfs/dbraw/zinc/37/87/60/183378760.db2.gz WEKGBIIZCREDPQ-UHFFFAOYSA-N 0 0 246.379 4.289 20 0 BIADRN CC[C@@H]([NH2+][C@H](C)c1ccco1)c1cccs1 ZINC000035738661 387581185 /nfs/dbraw/zinc/58/11/85/387581185.db2.gz KYIIYULOSLSJPG-GHMZBOCLSA-N 0 0 235.352 4.143 20 0 BIADRN CCC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000035738712 358458675 /nfs/dbraw/zinc/45/86/75/358458675.db2.gz PILVPSIHFSRMQF-ZFWWWQNUSA-N 0 0 243.350 4.472 20 0 BIADRN CCC[C@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000035738714 358458603 /nfs/dbraw/zinc/45/86/03/358458603.db2.gz PILVPSIHFSRMQF-HIFRSBDPSA-N 0 0 243.350 4.472 20 0 BIADRN CCC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000035738715 387553869 /nfs/dbraw/zinc/55/38/69/387553869.db2.gz PILVPSIHFSRMQF-UKRRQHHQSA-N 0 0 243.350 4.472 20 0 BIADRN CC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C)cc1 ZINC000035738842 358458539 /nfs/dbraw/zinc/45/85/39/358458539.db2.gz VOLPUOUDEHJIOQ-ZFWWWQNUSA-N 0 0 243.350 4.390 20 0 BIADRN CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C)cc1 ZINC000035738843 358458887 /nfs/dbraw/zinc/45/88/87/358458887.db2.gz VOLPUOUDEHJIOQ-DZGCQCFKSA-N 0 0 243.350 4.390 20 0 BIADRN CC[C@H]([NH2+][C@H](C)c1ccco1)c1ccc(C)cc1 ZINC000035738844 358458521 /nfs/dbraw/zinc/45/85/21/358458521.db2.gz VOLPUOUDEHJIOQ-HIFRSBDPSA-N 0 0 243.350 4.390 20 0 BIADRN CC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccc(C)cc1 ZINC000035738845 358458832 /nfs/dbraw/zinc/45/88/32/358458832.db2.gz VOLPUOUDEHJIOQ-UKRRQHHQSA-N 0 0 243.350 4.390 20 0 BIADRN Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC000035837603 488236658 /nfs/dbraw/zinc/23/66/58/488236658.db2.gz VIUJVEXNZYSVDM-UHFFFAOYSA-N 0 0 237.224 4.076 20 0 BIADRN CCSCc1cccc2ccccc21 ZINC000035923708 343504885 /nfs/dbraw/zinc/50/48/85/343504885.db2.gz ZVPMXLMKFKLYKE-UHFFFAOYSA-N 0 0 202.322 4.093 20 0 BIADRN Cc1cccc([C@@H](C)Nc2ccc(F)cc2)c1 ZINC000036246141 179183766 /nfs/dbraw/zinc/18/37/66/179183766.db2.gz QSFRHFQAQJWFAK-GFCCVEGCSA-N 0 0 229.298 4.307 20 0 BIADRN Cc1cccc([C@H](C)Nc2ccc(F)cc2)c1 ZINC000036246142 179197814 /nfs/dbraw/zinc/19/78/14/179197814.db2.gz QSFRHFQAQJWFAK-LBPRGKRZSA-N 0 0 229.298 4.307 20 0 BIADRN COc1cccc(N[C@H](C)c2cccc(C)c2)c1 ZINC000036246149 384441817 /nfs/dbraw/zinc/44/18/17/384441817.db2.gz NORQQOZEDMZJJD-CYBMUJFWSA-N 0 0 241.334 4.177 20 0 BIADRN COc1cccc(N[C@@H](C)c2cccc(C)c2)c1 ZINC000036246150 384441723 /nfs/dbraw/zinc/44/17/23/384441723.db2.gz NORQQOZEDMZJJD-ZDUSSCGKSA-N 0 0 241.334 4.177 20 0 BIADRN CCCCCc1ccc(NC2CCOCC2)cc1 ZINC000036304336 387585502 /nfs/dbraw/zinc/58/55/02/387585502.db2.gz BISJIVZEIUIRSV-UHFFFAOYSA-N 0 0 247.382 4.010 20 0 BIADRN CC(C)COc1cccc(Cl)c1Cl ZINC000036460144 411242185 /nfs/dbraw/zinc/24/21/85/411242185.db2.gz HLWIDSGLRLNUAZ-UHFFFAOYSA-N 0 0 219.111 4.028 20 0 BIADRN Cc1cccc(NC2CC(c3ccccc3)C2)c1 ZINC000036840319 262891080 /nfs/dbraw/zinc/89/10/80/262891080.db2.gz CEGGLLJSBXGYKT-UHFFFAOYSA-N 0 0 237.346 4.353 20 0 BIADRN c1ccc(NC2CC(c3ccccc3)C2)cc1 ZINC000036840323 387772374 /nfs/dbraw/zinc/77/23/74/387772374.db2.gz IGFQRVJAVRKSCD-UHFFFAOYSA-N 0 0 223.319 4.045 20 0 BIADRN Fc1cccc(NC2CC(c3ccccc3)C2)c1 ZINC000036840410 387773099 /nfs/dbraw/zinc/77/30/99/387773099.db2.gz UOYPAYNVMHWCPT-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Fc1ccc(NC2CC(c3ccccc3)C2)cc1 ZINC000036840417 387772721 /nfs/dbraw/zinc/77/27/21/387772721.db2.gz UKICUFAWFUQOIE-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Fc1ccccc1NC1CC(c2ccccc2)C1 ZINC000036840421 387772254 /nfs/dbraw/zinc/77/22/54/387772254.db2.gz FVYJUJMWQALTDF-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Cc1ccccc1NC1CC(c2ccccc2)C1 ZINC000036840456 387772135 /nfs/dbraw/zinc/77/21/35/387772135.db2.gz BONIZSDISSZIMI-UHFFFAOYSA-N 0 0 237.346 4.353 20 0 BIADRN Fc1ccc(C2CC(Nc3ccccc3)C2)cc1 ZINC000036840893 387774973 /nfs/dbraw/zinc/77/49/73/387774973.db2.gz UHINZHKUMCPBIZ-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Cc1ccc(C2CC(Nc3ccccc3)C2)cc1 ZINC000036840897 387773901 /nfs/dbraw/zinc/77/39/01/387773901.db2.gz FAPXOKVISHLOIS-UHFFFAOYSA-N 0 0 237.346 4.353 20 0 BIADRN Fc1cccc(C2CC(Nc3ccccc3)C2)c1 ZINC000036840898 387774437 /nfs/dbraw/zinc/77/44/37/387774437.db2.gz UJSVFTCKOKNCNU-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Fc1ccccc1C1CC(Nc2ccccc2)C1 ZINC000036840900 387774514 /nfs/dbraw/zinc/77/45/14/387774514.db2.gz QMRJOKIVAYCTFW-UHFFFAOYSA-N 0 0 241.309 4.184 20 0 BIADRN Cc1ccccc1C1CC(Nc2ccccc2)C1 ZINC000036840906 262891388 /nfs/dbraw/zinc/89/13/88/262891388.db2.gz VMYWPOMGSOZXDU-UHFFFAOYSA-N 0 0 237.346 4.353 20 0 BIADRN CCc1ccc(N[C@@H](C)c2csc(C)n2)cc1 ZINC000036914581 171821951 /nfs/dbraw/zinc/82/19/51/171821951.db2.gz PUIIQKKKXQTRIJ-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1ccc(N[C@H](C)c2csc(C)n2)cc1 ZINC000036914582 383921628 /nfs/dbraw/zinc/92/16/28/383921628.db2.gz PUIIQKKKXQTRIJ-SNVBAGLBSA-N 0 0 246.379 4.187 20 0 BIADRN CCc1ccccc1N[C@@H](C)c1csc(C)n1 ZINC000036914585 171889060 /nfs/dbraw/zinc/88/90/60/171889060.db2.gz MLIGZCJTGOXHQJ-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1ccccc1N[C@H](C)c1csc(C)n1 ZINC000036914586 383921318 /nfs/dbraw/zinc/92/13/18/383921318.db2.gz MLIGZCJTGOXHQJ-SNVBAGLBSA-N 0 0 246.379 4.187 20 0 BIADRN CCc1cccc(N[C@@H](C)c2csc(C)n2)c1 ZINC000036914595 383921398 /nfs/dbraw/zinc/92/13/98/383921398.db2.gz QEDLELWLJIDHQZ-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1cccc(N[C@H](C)c2csc(C)n2)c1 ZINC000036914596 383921826 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/nfs/dbraw/zinc/97/09/91/397970991.db2.gz JPSWZHDVYOECPV-NSHDSACASA-N 0 0 231.364 4.484 20 0 BIADRN CCc1ccc(N[C@H](C)c2ccsc2)cc1 ZINC000050338235 397971024 /nfs/dbraw/zinc/97/10/24/397971024.db2.gz JPSWZHDVYOECPV-LLVKDONJSA-N 0 0 231.364 4.484 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccsc2)cc1F ZINC000050338237 397970978 /nfs/dbraw/zinc/97/09/78/397970978.db2.gz SWXCUWXVMNTPCW-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccsc2)cc1F ZINC000050338239 322850756 /nfs/dbraw/zinc/85/07/56/322850756.db2.gz SWXCUWXVMNTPCW-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN CCc1ccccc1N[C@@H](C)c1ccsc1 ZINC000050338241 397971048 /nfs/dbraw/zinc/97/10/48/397971048.db2.gz MZYDUVFOYWUGGK-NSHDSACASA-N 0 0 231.364 4.484 20 0 BIADRN CCc1ccccc1N[C@H](C)c1ccsc1 ZINC000050338244 322850791 /nfs/dbraw/zinc/85/07/91/322850791.db2.gz MZYDUVFOYWUGGK-LLVKDONJSA-N 0 0 231.364 4.484 20 0 BIADRN Cc1cc(F)ccc1N[C@@H](C)c1ccsc1 ZINC000050338265 322850880 /nfs/dbraw/zinc/85/08/80/322850880.db2.gz OSWTXUDUJHXYJF-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)ccc1N[C@H](C)c1ccsc1 ZINC000050338268 322850788 /nfs/dbraw/zinc/85/07/88/322850788.db2.gz OSWTXUDUJHXYJF-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN CCc1cccc(N[C@@H](C)c2ccsc2)c1 ZINC000050338276 322850850 /nfs/dbraw/zinc/85/08/50/322850850.db2.gz YTYPISOXMMUPCM-NSHDSACASA-N 0 0 231.364 4.484 20 0 BIADRN CCc1cccc(N[C@H](C)c2ccsc2)c1 ZINC000050338279 322850731 /nfs/dbraw/zinc/85/07/31/322850731.db2.gz YTYPISOXMMUPCM-LLVKDONJSA-N 0 0 231.364 4.484 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccsc2)cc1 ZINC000050338329 322850854 /nfs/dbraw/zinc/85/08/54/322850854.db2.gz QATCGKHTKOJZSD-NSHDSACASA-N 0 0 217.337 4.230 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccsc2)cc1 ZINC000050338332 322850878 /nfs/dbraw/zinc/85/08/78/322850878.db2.gz QATCGKHTKOJZSD-LLVKDONJSA-N 0 0 217.337 4.230 20 0 BIADRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050338775 179338786 /nfs/dbraw/zinc/33/87/86/179338786.db2.gz CIMPNRMEJOWOQO-OLZOCXBDSA-N 0 0 245.391 4.468 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccsc2)c(F)c1 ZINC000050339725 322850910 /nfs/dbraw/zinc/85/09/10/322850910.db2.gz ZDKCRIIGKHKWFF-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccsc2)c(F)c1 ZINC000050339727 397971010 /nfs/dbraw/zinc/97/10/10/397971010.db2.gz ZDKCRIIGKHKWFF-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc(F)c(N[C@@H](C)c2ccsc2)c1 ZINC000050339809 384700450 /nfs/dbraw/zinc/70/04/50/384700450.db2.gz GBSZDXFBQSLCME-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc(F)c(N[C@H](C)c2ccsc2)c1 ZINC000050339812 384700352 /nfs/dbraw/zinc/70/03/52/384700352.db2.gz GBSZDXFBQSLCME-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN COCc1cccc(N[C@@H](C)c2ccsc2)c1 ZINC000050340573 384619207 /nfs/dbraw/zinc/61/92/07/384619207.db2.gz TWPHVICQOVFODM-NSHDSACASA-N 0 0 247.363 4.068 20 0 BIADRN COCc1cccc(N[C@H](C)c2ccsc2)c1 ZINC000050340574 174632854 /nfs/dbraw/zinc/63/28/54/174632854.db2.gz TWPHVICQOVFODM-LLVKDONJSA-N 0 0 247.363 4.068 20 0 BIADRN C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccsc1 ZINC000050343694 487495722 /nfs/dbraw/zinc/49/57/22/487495722.db2.gz OHSYZCORRSJZJO-QWRGUYRKSA-N 0 0 249.354 4.299 20 0 BIADRN C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccsc1 ZINC000050343696 487495891 /nfs/dbraw/zinc/49/58/91/487495891.db2.gz OHSYZCORRSJZJO-MNOVXSKESA-N 0 0 249.354 4.299 20 0 BIADRN C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1F ZINC000050343699 487495662 /nfs/dbraw/zinc/49/56/62/487495662.db2.gz OHSYZCORRSJZJO-WDEREUQCSA-N 0 0 249.354 4.299 20 0 BIADRN C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccsc1 ZINC000050343702 487495980 /nfs/dbraw/zinc/49/59/80/487495980.db2.gz OHSYZCORRSJZJO-GHMZBOCLSA-N 0 0 249.354 4.299 20 0 BIADRN CCOc1cccc(N[C@@H](C)c2ccsc2)c1 ZINC000050343965 170582556 /nfs/dbraw/zinc/58/25/56/170582556.db2.gz BOHUJBKFNUNAMF-NSHDSACASA-N 0 0 247.363 4.320 20 0 BIADRN CCOc1cccc(N[C@H](C)c2ccsc2)c1 ZINC000050343968 384700236 /nfs/dbraw/zinc/70/02/36/384700236.db2.gz BOHUJBKFNUNAMF-LLVKDONJSA-N 0 0 247.363 4.320 20 0 BIADRN COc1cc(C)ccc1N[C@@H](C)c1ccsc1 ZINC000050344023 384700527 /nfs/dbraw/zinc/70/05/27/384700527.db2.gz WEWOAGUNDXKVMX-NSHDSACASA-N 0 0 247.363 4.238 20 0 BIADRN COc1cc(C)ccc1N[C@H](C)c1ccsc1 ZINC000050344026 322850733 /nfs/dbraw/zinc/85/07/33/322850733.db2.gz WEWOAGUNDXKVMX-LLVKDONJSA-N 0 0 247.363 4.238 20 0 BIADRN Cc1c(F)cccc1N[C@@H](C)c1ccsc1 ZINC000050344810 384700212 /nfs/dbraw/zinc/70/02/12/384700212.db2.gz BPEQIGHUYARGOT-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1c(F)cccc1N[C@H](C)c1ccsc1 ZINC000050344811 384700513 /nfs/dbraw/zinc/70/05/13/384700513.db2.gz BPEQIGHUYARGOT-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN CCC[C@@H](CC)Nc1cccc(C(F)(F)F)n1 ZINC000050405701 322850046 /nfs/dbraw/zinc/85/00/46/322850046.db2.gz AITWIGZRXWDDDK-SECBINFHSA-N 0 0 246.276 4.091 20 0 BIADRN CCC[C@H](CC)Nc1cccc(C(F)(F)F)n1 ZINC000050405703 384696973 /nfs/dbraw/zinc/69/69/73/384696973.db2.gz AITWIGZRXWDDDK-VIFPVBQESA-N 0 0 246.276 4.091 20 0 BIADRN CC[C@@H](C)CSc1ccc(N)cc1Cl ZINC000050425060 384697146 /nfs/dbraw/zinc/69/71/46/384697146.db2.gz HCJRHQNFLQTXII-MRVPVSSYSA-N 0 0 229.776 4.060 20 0 BIADRN CC[C@H](C)CSc1ccc(N)cc1Cl ZINC000050425061 322850228 /nfs/dbraw/zinc/85/02/28/322850228.db2.gz HCJRHQNFLQTXII-QMMMGPOBSA-N 0 0 229.776 4.060 20 0 BIADRN Cc1cccc(NCc2ccc(F)c(C)c2)c1 ZINC000050544474 179150033 /nfs/dbraw/zinc/15/00/33/179150033.db2.gz ROQYZFQVXSPRRW-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Cc1ccc(NCc2ccc(F)c(C)c2)c(C)c1 ZINC000050544475 641176949 /nfs/dbraw/zinc/17/69/49/641176949.db2.gz LPQWHCUGNIOBCD-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN Cc1ccc(NCc2ccc(F)c(C)c2)cc1C ZINC000050544614 384699369 /nfs/dbraw/zinc/69/93/69/384699369.db2.gz FUDPEYYAEYJUNG-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN Cc1cc(C)cc(NCc2ccc(F)c(C)c2)c1 ZINC000050544630 177909834 /nfs/dbraw/zinc/90/98/34/177909834.db2.gz RFOZHVWVYHEMMD-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN CCc1ccc(NCc2ccc(F)c(C)c2)cc1 ZINC000050544633 384700380 /nfs/dbraw/zinc/70/03/80/384700380.db2.gz HXRUEXRWNSGKFN-UHFFFAOYSA-N 0 0 243.325 4.309 20 0 BIADRN CCc1cccc(NCc2ccc(F)c(C)c2)c1 ZINC000050544641 384700549 /nfs/dbraw/zinc/70/05/49/384700549.db2.gz SGWWVGVQHBCCTR-UHFFFAOYSA-N 0 0 243.325 4.309 20 0 BIADRN Cc1cccc(NCc2ccc(F)c(C)c2)c1C ZINC000050544644 178043735 /nfs/dbraw/zinc/04/37/35/178043735.db2.gz HWAYCMCZBALRNX-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN Cc1ccc(NCc2ccc(F)c(C)c2)cc1 ZINC000050544645 397970498 /nfs/dbraw/zinc/97/04/98/397970498.db2.gz KEZLKWPPFWVMKF-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Cc1ccccc1NCc1ccc(F)c(C)c1 ZINC000050544648 178044097 /nfs/dbraw/zinc/04/40/97/178044097.db2.gz YNNMVFJCGFWXCS-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Cc1cccc(NCc2ccc(F)cc2C)c1 ZINC000050568997 179150746 /nfs/dbraw/zinc/15/07/46/179150746.db2.gz GJCQXTXNUMPPBL-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Cc1ccc(NCc2ccc(F)cc2C)c(C)c1 ZINC000050568998 178763552 /nfs/dbraw/zinc/76/35/52/178763552.db2.gz SLQPUBKBQQIRQP-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN Cc1ccc(NCc2ccc(F)cc2C)cc1C ZINC000050569080 384704266 /nfs/dbraw/zinc/70/42/66/384704266.db2.gz XAPSHANVPZKIFT-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN Cc1cc(C)cc(NCc2ccc(F)cc2C)c1 ZINC000050569104 384703300 /nfs/dbraw/zinc/70/33/00/384703300.db2.gz ZVNRPISZCYQUQT-UHFFFAOYSA-N 0 0 243.325 4.363 20 0 BIADRN CCc1ccc(NCc2ccc(F)cc2C)cc1 ZINC000050569107 384704209 /nfs/dbraw/zinc/70/42/09/384704209.db2.gz JGDHMBYJGBCOKP-UHFFFAOYSA-N 0 0 243.325 4.309 20 0 BIADRN CCc1cccc(NCc2ccc(F)cc2C)c1 ZINC000050569116 384703357 /nfs/dbraw/zinc/70/33/57/384703357.db2.gz IQFAWBWCPYJFKF-UHFFFAOYSA-N 0 0 243.325 4.309 20 0 BIADRN Cc1ccc(NCc2ccc(F)cc2C)cc1 ZINC000050569123 384702642 /nfs/dbraw/zinc/70/26/42/384702642.db2.gz WERWQHRSSPRFFZ-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN Cc1ccccc1NCc1ccc(F)cc1C ZINC000050569127 178087280 /nfs/dbraw/zinc/08/72/80/178087280.db2.gz XFNXJAHERXUERR-UHFFFAOYSA-N 0 0 229.298 4.055 20 0 BIADRN CC(C)c1ccc(SCCCCCO)cc1 ZINC000051020544 322851026 /nfs/dbraw/zinc/85/10/26/322851026.db2.gz YFMGIECMQSWZLT-UHFFFAOYSA-N 0 0 238.396 4.065 20 0 BIADRN OCCCCCSc1ccc2ccccc2c1 ZINC000051020574 183049547 /nfs/dbraw/zinc/04/95/47/183049547.db2.gz ADTYSASKIGTVEQ-UHFFFAOYSA-N 0 0 246.375 4.095 20 0 BIADRN Clc1cc(CSc2ccccc2)ccn1 ZINC000051395932 398048728 /nfs/dbraw/zinc/04/87/28/398048728.db2.gz KCNPOYFARLCOPJ-UHFFFAOYSA-N 0 0 235.739 4.027 20 0 BIADRN Clc1cc(CSC2CCCCC2)ccn1 ZINC000051395943 631750323 /nfs/dbraw/zinc/75/03/23/631750323.db2.gz YAMFNHGEDFURIQ-UHFFFAOYSA-N 0 0 241.787 4.301 20 0 BIADRN Cc1ccc(SCc2ccnc(Cl)c2)cc1 ZINC000051395946 631749274 /nfs/dbraw/zinc/74/92/74/631749274.db2.gz OUBBWAHQCLEORX-UHFFFAOYSA-N 0 0 249.766 4.336 20 0 BIADRN CCc1ccc(CNc2ccc(C)cc2C)o1 ZINC000051721142 384702933 /nfs/dbraw/zinc/70/29/33/384702933.db2.gz VBCRBIIBSOWKJR-UHFFFAOYSA-N 0 0 229.323 4.071 20 0 BIADRN CCc1ccc(CNc2cccc(SC)c2)o1 ZINC000051721198 322851449 /nfs/dbraw/zinc/85/14/49/322851449.db2.gz PJHYDDHHHSUBAP-UHFFFAOYSA-N 0 0 247.363 4.176 20 0 BIADRN CCc1ccc(CNc2ccc(SC)cc2)o1 ZINC000051721269 384702225 /nfs/dbraw/zinc/70/22/25/384702225.db2.gz OCNLNLQRFVNPPZ-UHFFFAOYSA-N 0 0 247.363 4.176 20 0 BIADRN CCc1ccc(CNc2ccc(C)c(C)c2)o1 ZINC000051721406 322851461 /nfs/dbraw/zinc/85/14/61/322851461.db2.gz UOCQOCAOBUNXLT-UHFFFAOYSA-N 0 0 229.323 4.071 20 0 BIADRN CCc1ccc(CNc2cccc(Cl)c2)o1 ZINC000051721408 322851414 /nfs/dbraw/zinc/85/14/14/322851414.db2.gz SYZZXAQJNZYMRK-UHFFFAOYSA-N 0 0 235.714 4.108 20 0 BIADRN CCc1ccc(CNc2ccc(Cl)cc2)o1 ZINC000051721411 322851482 /nfs/dbraw/zinc/85/14/82/322851482.db2.gz HMIMOIOABYWBAJ-UHFFFAOYSA-N 0 0 235.714 4.108 20 0 BIADRN CCc1ccc(CNc2ccccc2Cl)o1 ZINC000051721428 384703968 /nfs/dbraw/zinc/70/39/68/384703968.db2.gz OSBBCSXBTJCDJV-UHFFFAOYSA-N 0 0 235.714 4.108 20 0 BIADRN CCc1ccc(CNc2cc(C)cc(C)c2)o1 ZINC000051721462 322851484 /nfs/dbraw/zinc/85/14/84/322851484.db2.gz JWACVMRRGSEGHG-UHFFFAOYSA-N 0 0 229.323 4.071 20 0 BIADRN CCc1ccc(CNc2ccc(CC)cc2)o1 ZINC000051721469 322851416 /nfs/dbraw/zinc/85/14/16/322851416.db2.gz AZFFKPMDQAXRSZ-UHFFFAOYSA-N 0 0 229.323 4.017 20 0 BIADRN CCc1ccc(CNc2ccccc2CC)o1 ZINC000051721473 322851405 /nfs/dbraw/zinc/85/14/05/322851405.db2.gz HJOFFWSBEBIEIA-UHFFFAOYSA-N 0 0 229.323 4.017 20 0 BIADRN CCc1ccc(CNc2cccc(CC)c2)o1 ZINC000051721491 384703997 /nfs/dbraw/zinc/70/39/97/384703997.db2.gz BKCLPOZOHSCEOR-UHFFFAOYSA-N 0 0 229.323 4.017 20 0 BIADRN CCc1ccc(CNc2cccc(C)c2C)o1 ZINC000051721514 384702430 /nfs/dbraw/zinc/70/24/30/384702430.db2.gz OGYSBVSUQSGDQY-UHFFFAOYSA-N 0 0 229.323 4.071 20 0 BIADRN CCc1ccc(CNc2cc(C)ccc2C)o1 ZINC000051721518 384704030 /nfs/dbraw/zinc/70/40/30/384704030.db2.gz NANAJWAUOYZLIS-UHFFFAOYSA-N 0 0 229.323 4.071 20 0 BIADRN CCc1ccc(CNc2ccccc2SC)o1 ZINC000051722783 322851717 /nfs/dbraw/zinc/85/17/17/322851717.db2.gz GXVLYKGNFIPCIZ-UHFFFAOYSA-N 0 0 247.363 4.176 20 0 BIADRN Cc1cccc(C)c1NCc1cccc(F)c1F ZINC000051753747 134684509 /nfs/dbraw/zinc/68/45/09/134684509.db2.gz KCHGGTQWEOGJOM-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1cccc(C)c1NCc1ccc(F)cc1F ZINC000051753969 179043784 /nfs/dbraw/zinc/04/37/84/179043784.db2.gz JMCMFATWQDUMEZ-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN Cc1cccc(C)c1NCc1cc(F)ccc1F ZINC000051753998 179043134 /nfs/dbraw/zinc/04/31/34/179043134.db2.gz GCABBJOEJGWRBO-UHFFFAOYSA-N 0 0 247.288 4.194 20 0 BIADRN CC[C@@H](C)Nc1cccc(O[C@@H](C)CC)c1 ZINC000051779711 322851966 /nfs/dbraw/zinc/85/19/66/322851966.db2.gz PYBJNKIIVKOFKP-NEPJUHHUSA-N 0 0 221.344 4.074 20 0 BIADRN CC[C@H](C)Nc1cccc(O[C@@H](C)CC)c1 ZINC000051779712 384705719 /nfs/dbraw/zinc/70/57/19/384705719.db2.gz PYBJNKIIVKOFKP-RYUDHWBXSA-N 0 0 221.344 4.074 20 0 BIADRN CC[C@@H](C)Nc1cccc(O[C@H](C)CC)c1 ZINC000051779714 322852053 /nfs/dbraw/zinc/85/20/53/322852053.db2.gz PYBJNKIIVKOFKP-VXGBXAGGSA-N 0 0 221.344 4.074 20 0 BIADRN CC[C@@H](C)Oc1cccc(N[C@@H](C)CC)c1 ZINC000051779715 322851962 /nfs/dbraw/zinc/85/19/62/322851962.db2.gz PYBJNKIIVKOFKP-NWDGAFQWSA-N 0 0 221.344 4.074 20 0 BIADRN CC[C@@H](C)Oc1cccc(N[C@@H](C)C2CC2)c1 ZINC000051779796 322851944 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/nfs/dbraw/zinc/77/04/94/643770494.db2.gz YUQMOFQNUSQMCG-UHFFFAOYSA-N 0 0 241.787 4.301 20 0 BIADRN Cc1ccc(SCc2cccc(Cl)n2)cc1 ZINC000085696239 643769006 /nfs/dbraw/zinc/76/90/06/643769006.db2.gz BNRCXJMWFMCMHA-UHFFFAOYSA-N 0 0 249.766 4.336 20 0 BIADRN Clc1cccc(CSc2cccs2)n1 ZINC000085696251 643770178 /nfs/dbraw/zinc/77/01/78/643770178.db2.gz CQOQXSWISTZRHD-UHFFFAOYSA-N 0 0 241.768 4.089 20 0 BIADRN Cc1ccccc1SCc1cccc(Cl)n1 ZINC000085696258 643770573 /nfs/dbraw/zinc/77/05/73/643770573.db2.gz CJYNBNSXVNZONY-UHFFFAOYSA-N 0 0 249.766 4.336 20 0 BIADRN Cc1cccc(SCc2cccc(Cl)n2)c1 ZINC000085696262 643768758 /nfs/dbraw/zinc/76/87/58/643768758.db2.gz HWCYYRNSJDGRHG-UHFFFAOYSA-N 0 0 249.766 4.336 20 0 BIADRN Cc1ccsc1CNc1cc(C)cc(F)c1 ZINC000085729691 387505821 /nfs/dbraw/zinc/50/58/21/387505821.db2.gz TYHYRYKLOYXQLD-UHFFFAOYSA-N 0 0 235.327 4.116 20 0 BIADRN Cc1ccc(CNc2cc(C)cc(F)c2)s1 ZINC000085729737 387505989 /nfs/dbraw/zinc/50/59/89/387505989.db2.gz GMJOHNRYLYCTFA-UHFFFAOYSA-N 0 0 235.327 4.116 20 0 BIADRN Cc1cc(F)cc(N[C@@H](C)c2ccsc2)c1 ZINC000085729892 387505645 /nfs/dbraw/zinc/50/56/45/387505645.db2.gz ICUUROOREVNQTN-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)cc(N[C@H](C)c2ccsc2)c1 ZINC000085729895 387505963 /nfs/dbraw/zinc/50/59/63/387505963.db2.gz ICUUROOREVNQTN-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)cc(N[C@@H](C)c2cccs2)c1 ZINC000085729959 387506753 /nfs/dbraw/zinc/50/67/53/387506753.db2.gz GPWNFKBBLFLKGB-JTQLQIEISA-N 0 0 235.327 4.369 20 0 BIADRN Cc1cc(F)cc(N[C@H](C)c2cccs2)c1 ZINC000085729963 259339395 /nfs/dbraw/zinc/33/93/95/259339395.db2.gz GPWNFKBBLFLKGB-SNVBAGLBSA-N 0 0 235.327 4.369 20 0 BIADRN Cc1ccc(NC/C(Cl)=C/Cl)cc1C ZINC000085977162 643870002 /nfs/dbraw/zinc/87/00/02/643870002.db2.gz WLMOPZMYMOSKQP-POHAHGRESA-N 0 0 230.138 4.034 20 0 BIADRN Cl/C=C(/Cl)CNc1cccc(Cl)c1 ZINC000085977166 643870357 /nfs/dbraw/zinc/87/03/57/643870357.db2.gz HMUQOIRFQFRPSS-VMPITWQZSA-N 0 0 236.529 4.071 20 0 BIADRN Cl/C=C(/Cl)CNc1ccc(Cl)cc1 ZINC000085977174 643870927 /nfs/dbraw/zinc/87/09/27/643870927.db2.gz QGZUWZQTJROOSW-VMPITWQZSA-N 0 0 236.529 4.071 20 0 BIADRN Cl/C=C(/Cl)CNc1ccccc1Cl ZINC000085977195 643870205 /nfs/dbraw/zinc/87/02/05/643870205.db2.gz VAKASJVZHGKYFT-FNORWQNLSA-N 0 0 236.529 4.071 20 0 BIADRN Cc1cccc(NC/C(Cl)=C/Cl)c1C ZINC000085977330 644454684 /nfs/dbraw/zinc/45/46/84/644454684.db2.gz LBBKHMMJGYZKQI-POHAHGRESA-N 0 0 230.138 4.034 20 0 BIADRN Cc1ccc(C)c(NC/C(Cl)=C/Cl)c1 ZINC000085977337 644454381 /nfs/dbraw/zinc/45/43/81/644454381.db2.gz PHJMAAMYJNRUFO-POHAHGRESA-N 0 0 230.138 4.034 20 0 BIADRN CC[C@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000085978862 644453851 /nfs/dbraw/zinc/45/38/51/644453851.db2.gz BWYSLNPVWQAYCC-KGTBHZDVSA-N 0 0 244.165 4.046 20 0 BIADRN CC[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000085978866 644453797 /nfs/dbraw/zinc/45/37/97/644453797.db2.gz BWYSLNPVWQAYCC-NXIHDVOMSA-N 0 0 244.165 4.046 20 0 BIADRN Cc1cccc(C)c1NC/C(Cl)=C/Cl ZINC000085978892 644454160 /nfs/dbraw/zinc/45/41/60/644454160.db2.gz KYVLEXKSMLSDNW-POHAHGRESA-N 0 0 230.138 4.034 20 0 BIADRN Cl/C=C(/Cl)COc1ccccc1Cl ZINC000086001650 643882492 /nfs/dbraw/zinc/88/24/92/643882492.db2.gz QYXSGKUUROLHKV-FNORWQNLSA-N 0 0 237.513 4.038 20 0 BIADRN CC(C)c1ccc(SCCC(C)(C)O)cc1 ZINC000086004186 256777426 /nfs/dbraw/zinc/77/74/26/256777426.db2.gz IXEKEXOJVASERU-UHFFFAOYSA-N 0 0 238.396 4.063 20 0 BIADRN Clc1cccc(CSCC2CCCC2)n1 ZINC000086115002 643629750 /nfs/dbraw/zinc/62/97/50/643629750.db2.gz RBZATCPRXYUKBY-UHFFFAOYSA-N 0 0 241.787 4.158 20 0 BIADRN CC[C@H](Nc1ccc(OC(C)C)cc1)C1CC1 ZINC000086116339 631467052 /nfs/dbraw/zinc/46/70/52/631467052.db2.gz WASNBRAVKKXYTJ-HNNXBMFYSA-N 0 0 233.355 4.074 20 0 BIADRN CC[C@@H](Nc1ccc(OC(C)C)cc1)C1CC1 ZINC000086116340 643914410 /nfs/dbraw/zinc/91/44/10/643914410.db2.gz WASNBRAVKKXYTJ-OAHLLOKOSA-N 0 0 233.355 4.074 20 0 BIADRN CC[C@H](Nc1ccccc1OC(C)C)C1CC1 ZINC000086118657 491057999 /nfs/dbraw/zinc/05/79/99/491057999.db2.gz AVEVWDDXHOCVGO-ZDUSSCGKSA-N 0 0 233.355 4.074 20 0 BIADRN CC[C@@H](Nc1ccccc1OC(C)C)C1CC1 ZINC000086118659 491058020 /nfs/dbraw/zinc/05/80/20/491058020.db2.gz AVEVWDDXHOCVGO-CYBMUJFWSA-N 0 0 233.355 4.074 20 0 BIADRN CC(C)(C)SCCSc1ccccc1 ZINC000086195582 643952410 /nfs/dbraw/zinc/95/24/10/643952410.db2.gz QNIREUPTMSPPKX-UHFFFAOYSA-N 0 0 226.410 4.310 20 0 BIADRN Cc1cccc(NCc2cc(Cl)cs2)c1 ZINC000086331973 385011876 /nfs/dbraw/zinc/01/18/76/385011876.db2.gz AAUGIJBYXXZKFD-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN Clc1csc(CNc2ccccc2)c1 ZINC000086331983 385011341 /nfs/dbraw/zinc/01/13/41/385011341.db2.gz BTNGWOFUSZMGOX-UHFFFAOYSA-N 0 0 223.728 4.014 20 0 BIADRN Fc1cccc(NCc2cc(Cl)cs2)c1 ZINC000086332080 256779303 /nfs/dbraw/zinc/77/93/03/256779303.db2.gz BTSMUGGMQWNUGN-UHFFFAOYSA-N 0 0 241.718 4.153 20 0 BIADRN Fc1ccc(NCc2cc(Cl)cs2)cc1 ZINC000086332093 387521325 /nfs/dbraw/zinc/52/13/25/387521325.db2.gz QVGKJYDTHGJYGX-UHFFFAOYSA-N 0 0 241.718 4.153 20 0 BIADRN Fc1ccccc1NCc1cc(Cl)cs1 ZINC000086332100 256779918 /nfs/dbraw/zinc/77/99/18/256779918.db2.gz NJSXQMBREBHVMK-UHFFFAOYSA-N 0 0 241.718 4.153 20 0 BIADRN Cc1ccc(NCc2cc(Cl)cs2)cc1 ZINC000086332168 387521111 /nfs/dbraw/zinc/52/11/11/387521111.db2.gz RVBJKOKEWOCFRB-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN Cc1ccccc1NCc1cc(Cl)cs1 ZINC000086332175 387521181 /nfs/dbraw/zinc/52/11/81/387521181.db2.gz DZCCEJGMHKXULM-UHFFFAOYSA-N 0 0 237.755 4.322 20 0 BIADRN CC[C@@H](C)C(=O)CSc1ccccc1Cl ZINC000086389184 385773555 /nfs/dbraw/zinc/77/35/55/385773555.db2.gz PMZJYRRVJTVKTF-SECBINFHSA-N 0 0 242.771 4.047 20 0 BIADRN CC[C@H](C)C(=O)CSc1ccccc1Cl ZINC000086389185 385774742 /nfs/dbraw/zinc/77/47/42/385774742.db2.gz PMZJYRRVJTVKTF-VIFPVBQESA-N 0 0 242.771 4.047 20 0 BIADRN CC[C@@H](C)C(=O)CSc1cccc(Cl)c1 ZINC000086389186 385773493 /nfs/dbraw/zinc/77/34/93/385773493.db2.gz BLAWJBVXMMMDLW-SECBINFHSA-N 0 0 242.771 4.047 20 0 BIADRN CC[C@H](C)C(=O)CSc1cccc(Cl)c1 ZINC000086389188 385773222 /nfs/dbraw/zinc/77/32/22/385773222.db2.gz BLAWJBVXMMMDLW-VIFPVBQESA-N 0 0 242.771 4.047 20 0 BIADRN CC(C)c1ccc(N[C@@H](C)c2nccs2)cc1 ZINC000086507779 167606725 /nfs/dbraw/zinc/60/67/25/167606725.db2.gz UYLHOBMIEKKFJU-NSHDSACASA-N 0 0 246.379 4.440 20 0 BIADRN CC(C)c1ccc(N[C@H](C)c2nccs2)cc1 ZINC000086507781 385024368 /nfs/dbraw/zinc/02/43/68/385024368.db2.gz UYLHOBMIEKKFJU-LLVKDONJSA-N 0 0 246.379 4.440 20 0 BIADRN CC(C)c1cccc(N[C@@H](C)c2nccs2)c1 ZINC000086508037 385022896 /nfs/dbraw/zinc/02/28/96/385022896.db2.gz VLGCMNSVQLTSRB-NSHDSACASA-N 0 0 246.379 4.440 20 0 BIADRN CC(C)c1cccc(N[C@H](C)c2nccs2)c1 ZINC000086508038 385023545 /nfs/dbraw/zinc/02/35/45/385023545.db2.gz VLGCMNSVQLTSRB-LLVKDONJSA-N 0 0 246.379 4.440 20 0 BIADRN CCCc1ccc(N[C@@H](C)c2nccs2)cc1 ZINC000086508043 644145061 /nfs/dbraw/zinc/14/50/61/644145061.db2.gz BGZWOGDBPQALFZ-NSHDSACASA-N 0 0 246.379 4.269 20 0 BIADRN CCCc1ccc(N[C@H](C)c2nccs2)cc1 ZINC000086508044 644145189 /nfs/dbraw/zinc/14/51/89/644145189.db2.gz BGZWOGDBPQALFZ-LLVKDONJSA-N 0 0 246.379 4.269 20 0 BIADRN Clc1ncc(CSc2cccs2)s1 ZINC000086777658 644178825 /nfs/dbraw/zinc/17/88/25/644178825.db2.gz IENWETAVYLJCCN-UHFFFAOYSA-N 0 0 247.797 4.150 20 0 BIADRN Clc1ncc(CSC2CCCCC2)s1 ZINC000086777693 644178591 /nfs/dbraw/zinc/17/85/91/644178591.db2.gz YXYPWEMADPISBF-UHFFFAOYSA-N 0 0 247.816 4.362 20 0 BIADRN Clc1ncc(CSCC2CCCC2)s1 ZINC000086777743 644178931 /nfs/dbraw/zinc/17/89/31/644178931.db2.gz PARSXBCFWXGXBB-UHFFFAOYSA-N 0 0 247.816 4.220 20 0 BIADRN CCCCc1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000086869991 385057193 /nfs/dbraw/zinc/05/71/93/385057193.db2.gz DRUGNFXRHBPQFW-OAHLLOKOSA-N 0 0 247.382 4.010 20 0 BIADRN CCCCc1ccc(N[C@H]2CCCOCC2)cc1 ZINC000086869993 385057808 /nfs/dbraw/zinc/05/78/08/385057808.db2.gz DRUGNFXRHBPQFW-HNNXBMFYSA-N 0 0 247.382 4.010 20 0 BIADRN CC(C)(C)c1ccccc1NC(=O)C=C1CCC1 ZINC000087025062 644474819 /nfs/dbraw/zinc/47/48/19/644474819.db2.gz ATVGWENXXSWGDQ-UHFFFAOYSA-N 0 0 243.350 4.033 20 0 BIADRN CCC(CC)Sc1ccc(N)cc1Cl ZINC000087157612 384408195 /nfs/dbraw/zinc/40/81/95/384408195.db2.gz BRIPJMUCYJBKLJ-UHFFFAOYSA-N 0 0 229.776 4.203 20 0 BIADRN Cc1ccc(Cl)cc1N[C@@H](C)c1ccoc1 ZINC000087285563 322963682 /nfs/dbraw/zinc/96/36/82/322963682.db2.gz IUAJSYTXGYGWMG-JTQLQIEISA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(Cl)cc1N[C@H](C)c1ccoc1 ZINC000087285564 325630254 /nfs/dbraw/zinc/63/02/54/325630254.db2.gz IUAJSYTXGYGWMG-SNVBAGLBSA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccoc2)c(C)c1 ZINC000087289368 385089370 /nfs/dbraw/zinc/08/93/70/385089370.db2.gz VFQWKQXHWQXSKH-LBPRGKRZSA-N 0 0 215.296 4.070 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccoc2)c(C)c1 ZINC000087289369 322874011 /nfs/dbraw/zinc/87/40/11/322874011.db2.gz VFQWKQXHWQXSKH-GFCCVEGCSA-N 0 0 215.296 4.070 20 0 BIADRN CSc1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000087289408 384929223 /nfs/dbraw/zinc/92/92/23/384929223.db2.gz FCYGXYUWVDWQGJ-JTQLQIEISA-N 0 0 233.336 4.175 20 0 BIADRN CSc1cccc(N[C@H](C)c2ccoc2)c1 ZINC000087289409 384926678 /nfs/dbraw/zinc/92/66/78/384926678.db2.gz FCYGXYUWVDWQGJ-SNVBAGLBSA-N 0 0 233.336 4.175 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccoc2)cc1Cl ZINC000087289410 322874297 /nfs/dbraw/zinc/87/42/97/322874297.db2.gz FFMDAWVORNCOEQ-JTQLQIEISA-N 0 0 235.714 4.415 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccoc2)cc1Cl ZINC000087289411 322874193 /nfs/dbraw/zinc/87/41/93/322874193.db2.gz FFMDAWVORNCOEQ-SNVBAGLBSA-N 0 0 235.714 4.415 20 0 BIADRN Cc1c(Cl)cccc1N[C@@H](C)c1ccoc1 ZINC000087289426 384927621 /nfs/dbraw/zinc/92/76/21/384927621.db2.gz RJDQJFWHJPBOAX-JTQLQIEISA-N 0 0 235.714 4.415 20 0 BIADRN Cc1c(Cl)cccc1N[C@H](C)c1ccoc1 ZINC000087289427 322874372 /nfs/dbraw/zinc/87/43/72/322874372.db2.gz RJDQJFWHJPBOAX-SNVBAGLBSA-N 0 0 235.714 4.415 20 0 BIADRN CSc1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000087289434 384928810 /nfs/dbraw/zinc/92/88/10/384928810.db2.gz HCHIPWZIRMQPTP-JTQLQIEISA-N 0 0 233.336 4.175 20 0 BIADRN CSc1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000087289435 384927471 /nfs/dbraw/zinc/92/74/71/384927471.db2.gz HCHIPWZIRMQPTP-SNVBAGLBSA-N 0 0 233.336 4.175 20 0 BIADRN C[C@H](Nc1cccc(Cl)c1)c1ccoc1 ZINC000087289468 384932387 /nfs/dbraw/zinc/93/23/87/384932387.db2.gz UPRKTHURCWHHHG-VIFPVBQESA-N 0 0 221.687 4.106 20 0 BIADRN C[C@@H](Nc1cccc(Cl)c1)c1ccoc1 ZINC000087289469 384923682 /nfs/dbraw/zinc/92/36/82/384923682.db2.gz UPRKTHURCWHHHG-SECBINFHSA-N 0 0 221.687 4.106 20 0 BIADRN C[C@H](Nc1ccc(Cl)cc1)c1ccoc1 ZINC000087289472 384923863 /nfs/dbraw/zinc/92/38/63/384923863.db2.gz OIVNCCIJYZRFDT-VIFPVBQESA-N 0 0 221.687 4.106 20 0 BIADRN C[C@@H](Nc1ccc(Cl)cc1)c1ccoc1 ZINC000087289473 384923637 /nfs/dbraw/zinc/92/36/37/384923637.db2.gz OIVNCCIJYZRFDT-SECBINFHSA-N 0 0 221.687 4.106 20 0 BIADRN CCc1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000087289516 322873550 /nfs/dbraw/zinc/87/35/50/322873550.db2.gz LUQJRFNVTDXRJS-NSHDSACASA-N 0 0 215.296 4.015 20 0 BIADRN CCc1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000087289517 384924684 /nfs/dbraw/zinc/92/46/84/384924684.db2.gz LUQJRFNVTDXRJS-LLVKDONJSA-N 0 0 215.296 4.015 20 0 BIADRN CCc1ccccc1N[C@@H](C)c1ccoc1 ZINC000087289520 384929256 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/nfs/dbraw/zinc/60/54/19/324605419.db2.gz YJRNZKHQGCJMIP-OAHLLOKOSA-N 0 0 241.334 4.332 20 0 BIADRN CCc1ccc(N[C@H]2CCCc3occc32)cc1 ZINC000123899387 388659178 /nfs/dbraw/zinc/65/91/78/388659178.db2.gz YJRNZKHQGCJMIP-HNNXBMFYSA-N 0 0 241.334 4.332 20 0 BIADRN Cc1ccc(N[C@@H]2CCCc3occc32)cc1F ZINC000123899583 323086020 /nfs/dbraw/zinc/08/60/20/323086020.db2.gz TYCKEJJELLQDEN-CQSZACIVSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1ccc(N[C@H]2CCCc3occc32)cc1F ZINC000123899847 388658877 /nfs/dbraw/zinc/65/88/77/388658877.db2.gz TYCKEJJELLQDEN-AWEZNQCLSA-N 0 0 245.297 4.217 20 0 BIADRN CCc1ccccc1N[C@@H]1CCCc2occc21 ZINC000123900086 388658961 /nfs/dbraw/zinc/65/89/61/388658961.db2.gz YDZBDLQIMNHUNX-OAHLLOKOSA-N 0 0 241.334 4.332 20 0 BIADRN CCc1ccccc1N[C@H]1CCCc2occc21 ZINC000123900263 324605309 /nfs/dbraw/zinc/60/53/09/324605309.db2.gz YDZBDLQIMNHUNX-HNNXBMFYSA-N 0 0 241.334 4.332 20 0 BIADRN Cc1cc(F)ccc1N[C@@H]1CCCc2occc21 ZINC000123900928 323086054 /nfs/dbraw/zinc/08/60/54/323086054.db2.gz 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BIADRN Cc1ccc(N[C@H]2CCCc3occc32)cc1 ZINC000123903445 388659121 /nfs/dbraw/zinc/65/91/21/388659121.db2.gz MYWMABIQLQATIF-AWEZNQCLSA-N 0 0 227.307 4.078 20 0 BIADRN Cc1ccc(C)c(N[C@@H]2CCCc3occc32)c1 ZINC000123903684 388658758 /nfs/dbraw/zinc/65/87/58/388658758.db2.gz ZDHGBWXRXRLQNM-CQSZACIVSA-N 0 0 241.334 4.386 20 0 BIADRN Cc1ccc(C)c(N[C@H]2CCCc3occc32)c1 ZINC000123903889 324605059 /nfs/dbraw/zinc/60/50/59/324605059.db2.gz ZDHGBWXRXRLQNM-AWEZNQCLSA-N 0 0 241.334 4.386 20 0 BIADRN Cc1ccc(N[C@@H]2CCCc3occc32)c(F)c1 ZINC000123921075 324605019 /nfs/dbraw/zinc/60/50/19/324605019.db2.gz QBWPILYLSFYTGM-CYBMUJFWSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1ccc(N[C@H]2CCCc3occc32)c(F)c1 ZINC000123921305 388659419 /nfs/dbraw/zinc/65/94/19/388659419.db2.gz QBWPILYLSFYTGM-ZDUSSCGKSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1ccc(F)c(N[C@@H]2CCCc3occc32)c1 ZINC000123922812 388659332 /nfs/dbraw/zinc/65/93/32/388659332.db2.gz YYPBWVBDMPFQIE-CYBMUJFWSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1ccc(F)c(N[C@H]2CCCc3occc32)c1 ZINC000123923020 388658926 /nfs/dbraw/zinc/65/89/26/388658926.db2.gz YYPBWVBDMPFQIE-ZDUSSCGKSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1c(F)cccc1N[C@@H]1CCCc2occc21 ZINC000124010995 324608306 /nfs/dbraw/zinc/60/83/06/324608306.db2.gz UZVGIXOSRJPHCC-CQSZACIVSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1c(F)cccc1N[C@H]1CCCc2occc21 ZINC000124011172 388660234 /nfs/dbraw/zinc/66/02/34/388660234.db2.gz UZVGIXOSRJPHCC-AWEZNQCLSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1ccc(NCc2cc(F)ccc2Cl)cc1 ZINC000124022623 388659789 /nfs/dbraw/zinc/65/97/89/388659789.db2.gz NFGHLEZOPBIZCL-UHFFFAOYSA-N 0 0 249.716 4.400 20 0 BIADRN Cc1ccccc1NCc1cc(F)ccc1Cl ZINC000124023690 388660391 /nfs/dbraw/zinc/66/03/91/388660391.db2.gz QADIVBWDDLQOJF-UHFFFAOYSA-N 0 0 249.716 4.400 20 0 BIADRN Cc1cc(N[C@@H]2CCCc3occc32)ccc1F ZINC000124029225 388659712 /nfs/dbraw/zinc/65/97/12/388659712.db2.gz KOHHNJHRVZCDKX-CQSZACIVSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1cc(N[C@H]2CCCc3occc32)ccc1F ZINC000124029451 388660344 /nfs/dbraw/zinc/66/03/44/388660344.db2.gz KOHHNJHRVZCDKX-AWEZNQCLSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1cc(F)cc(N[C@@H]2CCCc3occc32)c1 ZINC000124074941 323099106 /nfs/dbraw/zinc/09/91/06/323099106.db2.gz ASUMNGPUVKLSQK-CQSZACIVSA-N 0 0 245.297 4.217 20 0 BIADRN Cc1cc(F)cc(N[C@H]2CCCc3occc32)c1 ZINC000124075128 388659946 /nfs/dbraw/zinc/65/99/46/388659946.db2.gz ASUMNGPUVKLSQK-AWEZNQCLSA-N 0 0 245.297 4.217 20 0 BIADRN CCCc1nc(CNc2cccc(C)c2)cs1 ZINC000124140604 388661282 /nfs/dbraw/zinc/66/12/82/388661282.db2.gz DGKLQSFJYKBCRH-UHFFFAOYSA-N 0 0 246.379 4.016 20 0 BIADRN CC[C@@H](C)CS[C@@H](C)c1nc(C(C)C)no1 ZINC000124351133 322999110 /nfs/dbraw/zinc/99/91/10/322999110.db2.gz RYIPIDVUEYHGJV-ZJUUUORDSA-N 0 0 242.388 4.033 20 0 BIADRN CC[C@H](C)CS[C@@H](C)c1nc(C(C)C)no1 ZINC000124351328 322999089 /nfs/dbraw/zinc/99/90/89/322999089.db2.gz RYIPIDVUEYHGJV-UWVGGRQHSA-N 0 0 242.388 4.033 20 0 BIADRN CC[C@@H](C)CS[C@H](C)c1nc(C(C)C)no1 ZINC000124351552 388661990 /nfs/dbraw/zinc/66/19/90/388661990.db2.gz RYIPIDVUEYHGJV-NXEZZACHSA-N 0 0 242.388 4.033 20 0 BIADRN CC[C@H](C)CS[C@H](C)c1nc(C(C)C)no1 ZINC000124351772 388662287 /nfs/dbraw/zinc/66/22/87/388662287.db2.gz RYIPIDVUEYHGJV-VHSXEESVSA-N 0 0 242.388 4.033 20 0 BIADRN Cc1cc(C)c(NC(=O)C2=CCCCC2)c(C)c1 ZINC000124356350 384635397 /nfs/dbraw/zinc/63/53/97/384635397.db2.gz XTUCYHMAVIKENC-UHFFFAOYSA-N 0 0 243.350 4.051 20 0 BIADRN Cc1cc(Cl)ccc1NC(=O)C1=CCCCC1 ZINC000124376116 345039912 /nfs/dbraw/zinc/03/99/12/345039912.db2.gz CCZKAIXGWMNHSJ-UHFFFAOYSA-N 0 0 249.741 4.087 20 0 BIADRN Cc1c(Cl)cccc1NC(=O)C1=CCCCC1 ZINC000124377077 388662439 /nfs/dbraw/zinc/66/24/39/388662439.db2.gz LRFLTUZQBYKGMW-UHFFFAOYSA-N 0 0 249.741 4.087 20 0 BIADRN Cc1ccc(NC(=O)C2=CCCCC2)c(Cl)c1 ZINC000124406968 388661938 /nfs/dbraw/zinc/66/19/38/388661938.db2.gz DHIRWLMWZRLFOB-UHFFFAOYSA-N 0 0 249.741 4.087 20 0 BIADRN CC(C)c1ccccc1NC(=O)C1=CCCCC1 ZINC000124435368 384641183 /nfs/dbraw/zinc/64/11/83/384641183.db2.gz QDIRUXZUNYLVNC-UHFFFAOYSA-N 0 0 243.350 4.249 20 0 BIADRN c1sc(C2CC2)nc1CSc1ccccc1 ZINC000124466672 387618433 /nfs/dbraw/zinc/61/84/33/387618433.db2.gz PMUGQDXKVSVFIU-UHFFFAOYSA-N 0 0 247.388 4.313 20 0 BIADRN c1sc(C2CC2)nc1CSC1CCCC1 ZINC000124532470 387619825 /nfs/dbraw/zinc/61/98/25/387619825.db2.gz KDWSFZIKKQCYTN-UHFFFAOYSA-N 0 0 239.409 4.196 20 0 BIADRN Cc1ccc(Cl)cc1NC(=O)C1=CCCCC1 ZINC000124537012 324618580 /nfs/dbraw/zinc/61/85/80/324618580.db2.gz QLKAAYCIPYHQQD-UHFFFAOYSA-N 0 0 249.741 4.087 20 0 BIADRN CCCCCC(=O)Nc1cc(C)ccc1Cl ZINC000124579369 388663598 /nfs/dbraw/zinc/66/35/98/388663598.db2.gz UMSQAGAIILYDST-UHFFFAOYSA-N 0 0 239.746 4.167 20 0 BIADRN CCC(C)(C)C(=O)Nc1cc(C)ccc1Cl ZINC000124622321 322974592 /nfs/dbraw/zinc/97/45/92/322974592.db2.gz NNRKWJMWUFAARX-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCc1nc([C@@H](C)SC)oc1-c1ccccc1 ZINC000124637122 172003024 /nfs/dbraw/zinc/00/30/24/172003024.db2.gz UAKFGXWHJGETNJ-SNVBAGLBSA-N 0 0 247.363 4.328 20 0 BIADRN CCc1nc([C@H](C)SC)oc1-c1ccccc1 ZINC000124637344 172007910 /nfs/dbraw/zinc/00/79/10/172007910.db2.gz UAKFGXWHJGETNJ-JTQLQIEISA-N 0 0 247.363 4.328 20 0 BIADRN Cc1ccc(Cl)c(NC(=O)CC(C)(C)C)c1 ZINC000124640390 388664639 /nfs/dbraw/zinc/66/46/39/388664639.db2.gz TVSLHLABQSOMHX-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN Cc1ccc(Cl)c(NC(=O)CCC(C)C)c1 ZINC000124643625 324621976 /nfs/dbraw/zinc/62/19/76/324621976.db2.gz MGRBICKJIXFLHT-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCC(CC)C(=O)Nc1cc(C)ccc1Cl ZINC000124672961 388664489 /nfs/dbraw/zinc/66/44/89/388664489.db2.gz RVLGTTLSWQJASA-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCCCN(C(=O)C(C)C)[C@@H](C)c1ccccc1 ZINC000124698026 324623188 /nfs/dbraw/zinc/62/31/88/324623188.db2.gz YQMOKJKRJUPJNV-AWEZNQCLSA-N 0 0 247.382 4.032 20 0 BIADRN CCCCN(C(=O)C(C)C)[C@H](C)c1ccccc1 ZINC000124698242 324622605 /nfs/dbraw/zinc/62/26/05/324622605.db2.gz YQMOKJKRJUPJNV-CQSZACIVSA-N 0 0 247.382 4.032 20 0 BIADRN CCCCN(C(=O)CCC)[C@@H](C)c1ccccc1 ZINC000124698522 324622880 /nfs/dbraw/zinc/62/28/80/324622880.db2.gz VKRGJPPDYXEEDW-AWEZNQCLSA-N 0 0 247.382 4.176 20 0 BIADRN CCCCN(C(=O)CCC)[C@H](C)c1ccccc1 ZINC000124698742 323161887 /nfs/dbraw/zinc/16/18/87/323161887.db2.gz VKRGJPPDYXEEDW-CQSZACIVSA-N 0 0 247.382 4.176 20 0 BIADRN CCC[C@@H](C)C(=O)Nc1cc(C)ccc1Cl ZINC000124874059 324626144 /nfs/dbraw/zinc/62/61/44/324626144.db2.gz IDWRZZGHULKJEP-SNVBAGLBSA-N 0 0 239.746 4.023 20 0 BIADRN CCC[C@H](C)C(=O)Nc1cc(C)ccc1Cl ZINC000124874294 324625942 /nfs/dbraw/zinc/62/59/42/324625942.db2.gz IDWRZZGHULKJEP-JTQLQIEISA-N 0 0 239.746 4.023 20 0 BIADRN Fc1cc(Cl)cc(NCc2ccsc2)c1 ZINC000124902116 388667348 /nfs/dbraw/zinc/66/73/48/388667348.db2.gz QTZIEGBTHCKCHO-UHFFFAOYSA-N 0 0 241.718 4.153 20 0 BIADRN Fc1cc(Cl)cc(NCc2cccs2)c1 ZINC000124904658 388667364 /nfs/dbraw/zinc/66/73/64/388667364.db2.gz LUZKRCCRIVHCLH-UHFFFAOYSA-N 0 0 241.718 4.153 20 0 BIADRN FC(F)c1cccc(NCc2ccsc2)c1 ZINC000124927833 590102142 /nfs/dbraw/zinc/10/21/42/590102142.db2.gz SVLBSFXGZMLZNE-UHFFFAOYSA-N 0 0 239.290 4.298 20 0 BIADRN CC(C)(C)CNc1cccc(C(F)F)c1 ZINC000124931510 490252920 /nfs/dbraw/zinc/25/29/20/490252920.db2.gz ABTCIVAUMMUBAN-UHFFFAOYSA-N 0 0 213.271 4.082 20 0 BIADRN CCC1(C(=O)Nc2cccc(F)c2C)CCCC1 ZINC000124940116 388666814 /nfs/dbraw/zinc/66/68/14/388666814.db2.gz FLBKJCAZVGNZMG-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN CSCc1ccc(NCC(C)(C)C)cc1 ZINC000124940117 371259762 /nfs/dbraw/zinc/25/97/62/371259762.db2.gz HQYNCPAYSCYGGA-UHFFFAOYSA-N 0 0 223.385 4.008 20 0 BIADRN CSCCc1ccc(NCC(C)(C)C)cc1 ZINC000124941802 371259583 /nfs/dbraw/zinc/25/95/83/371259583.db2.gz VJGXABLCBYNIHA-UHFFFAOYSA-N 0 0 237.412 4.050 20 0 BIADRN CSCc1cccc(NCC(C)(C)C)c1 ZINC000124952980 371261345 /nfs/dbraw/zinc/26/13/45/371261345.db2.gz ZCPUOTIUZISILR-UHFFFAOYSA-N 0 0 223.385 4.008 20 0 BIADRN CCSc1cccc(NCc2ccco2)c1 ZINC000124954943 323000459 /nfs/dbraw/zinc/00/04/59/323000459.db2.gz ZBUOECMBBOUPTA-UHFFFAOYSA-N 0 0 233.336 4.004 20 0 BIADRN CCSc1cccc(NCc2ccoc2)c1 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ZINC000180166821 366387990 /nfs/dbraw/zinc/38/79/90/366387990.db2.gz VJEPNQJKLBEGSR-ZDUSSCGKSA-N 0 0 247.382 4.212 20 0 BIADRN CC(C)OCc1ccc(N[C@H](C)C2CCC2)cc1 ZINC000180166835 366387544 /nfs/dbraw/zinc/38/75/44/366387544.db2.gz VJEPNQJKLBEGSR-CYBMUJFWSA-N 0 0 247.382 4.212 20 0 BIADRN CC(C)OCc1ccc(N[C@H](C)C(C)C)cc1 ZINC000180167475 366386969 /nfs/dbraw/zinc/38/69/69/366386969.db2.gz IKLHCQOSTADSPV-CYBMUJFWSA-N 0 0 235.371 4.068 20 0 BIADRN CC(C)OCc1ccc(N[C@@H](C)C(C)C)cc1 ZINC000180167493 366387957 /nfs/dbraw/zinc/38/79/57/366387957.db2.gz IKLHCQOSTADSPV-ZDUSSCGKSA-N 0 0 235.371 4.068 20 0 BIADRN CC[C@@H](C)CNc1ccc(-c2cnc(C)o2)cc1 ZINC000180246750 366403386 /nfs/dbraw/zinc/40/33/86/366403386.db2.gz ULOBVHYGEUVKJP-LLVKDONJSA-N 0 0 244.338 4.108 20 0 BIADRN CC[C@H](C)CNc1ccc(-c2cnc(C)o2)cc1 ZINC000180246764 366405456 /nfs/dbraw/zinc/40/54/56/366405456.db2.gz ULOBVHYGEUVKJP-NSHDSACASA-N 0 0 244.338 4.108 20 0 BIADRN Clc1ccccc1CSCc1ccccn1 ZINC000180329753 366423807 /nfs/dbraw/zinc/42/38/07/366423807.db2.gz ZTMLFLYLJUHCLU-UHFFFAOYSA-N 0 0 249.766 4.168 20 0 BIADRN C(=C/c1ccccc1)\CSCc1ccccn1 ZINC000180334415 366424166 /nfs/dbraw/zinc/42/41/66/366424166.db2.gz NIWMJGFSIDWGNV-RMKNXTFCSA-N 0 0 241.359 4.028 20 0 BIADRN Cc1cccnc1CS[C@@H](C)c1ccccc1 ZINC000180336637 366425215 /nfs/dbraw/zinc/42/52/15/366425215.db2.gz YXUMQUYWENDHBQ-ZDUSSCGKSA-N 0 0 243.375 4.384 20 0 BIADRN Cc1cccnc1CS[C@H](C)c1ccccc1 ZINC000180336658 366425290 /nfs/dbraw/zinc/42/52/90/366425290.db2.gz YXUMQUYWENDHBQ-CYBMUJFWSA-N 0 0 243.375 4.384 20 0 BIADRN C[C@H](SCc1ccccn1)c1ccccc1 ZINC000180336731 366425658 /nfs/dbraw/zinc/42/56/58/366425658.db2.gz HWDZJMWTCYJSDY-LBPRGKRZSA-N 0 0 229.348 4.076 20 0 BIADRN C[C@@H](SCc1ccccn1)c1ccccc1 ZINC000180336745 366425551 /nfs/dbraw/zinc/42/55/51/366425551.db2.gz HWDZJMWTCYJSDY-GFCCVEGCSA-N 0 0 229.348 4.076 20 0 BIADRN CCCSCc1ncc(Cl)cc1Cl ZINC000180361804 385389608 /nfs/dbraw/zinc/38/96/08/385389608.db2.gz ANWNMKZTEAMKIJ-UHFFFAOYSA-N 0 0 236.167 4.032 20 0 BIADRN C[C@H](SCc1ccccn1)c1cccc(F)c1 ZINC000180370931 366436050 /nfs/dbraw/zinc/43/60/50/366436050.db2.gz YVSCMPZIJKCPCV-NSHDSACASA-N 0 0 247.338 4.215 20 0 BIADRN C[C@@H](SCc1ccccn1)c1cccc(F)c1 ZINC000180370947 366435366 /nfs/dbraw/zinc/43/53/66/366435366.db2.gz YVSCMPZIJKCPCV-LLVKDONJSA-N 0 0 247.338 4.215 20 0 BIADRN Cc1cc(CSCc2ccccn2)c(C)s1 ZINC000180376595 366438346 /nfs/dbraw/zinc/43/83/46/366438346.db2.gz ZNYPVGCLYKKXAH-UHFFFAOYSA-N 0 0 249.404 4.193 20 0 BIADRN CC(C)SCc1ncc(Cl)cc1Cl ZINC000180378699 386253343 /nfs/dbraw/zinc/25/33/43/386253343.db2.gz IAHGGPYEUIWNAV-UHFFFAOYSA-N 0 0 236.167 4.030 20 0 BIADRN C/C(=C/c1ccc2ccccc2c1)c1cnccn1 ZINC000180381927 259307406 /nfs/dbraw/zinc/30/74/06/259307406.db2.gz HRKLQNUVLFUEBI-RAXLEYEMSA-N 0 0 246.313 4.190 20 0 BIADRN C/C(=C\c1ccc(C(C)C)cc1)c1cnccn1 ZINC000180382536 259307400 /nfs/dbraw/zinc/30/74/00/259307400.db2.gz STPPQDSOEYYWNN-JLHYYAGUSA-N 0 0 238.334 4.161 20 0 BIADRN Cc1cccc([C@@H](C)SCc2ccccn2)c1 ZINC000180395999 366445107 /nfs/dbraw/zinc/44/51/07/366445107.db2.gz NDMMMGSPBLRACD-CYBMUJFWSA-N 0 0 243.375 4.384 20 0 BIADRN Cc1cccc([C@H](C)SCc2ccccn2)c1 ZINC000180396020 366445100 /nfs/dbraw/zinc/44/51/00/366445100.db2.gz NDMMMGSPBLRACD-ZDUSSCGKSA-N 0 0 243.375 4.384 20 0 BIADRN Clc1cnc(CSCC2CC2)c(Cl)c1 ZINC000180406189 366447501 /nfs/dbraw/zinc/44/75/01/366447501.db2.gz GMLOXVVQKUGXCG-UHFFFAOYSA-N 0 0 248.178 4.032 20 0 BIADRN Cc1ccccc1[C@@H](C)SCc1ccccn1 ZINC000180406861 366447692 /nfs/dbraw/zinc/44/76/92/366447692.db2.gz BVZIOJASTLARCJ-CYBMUJFWSA-N 0 0 243.375 4.384 20 0 BIADRN Cc1ccccc1[C@H](C)SCc1ccccn1 ZINC000180406882 366448126 /nfs/dbraw/zinc/44/81/26/366448126.db2.gz BVZIOJASTLARCJ-ZDUSSCGKSA-N 0 0 243.375 4.384 20 0 BIADRN CCCCC[S@@](=O)[C@@H](CC)c1ccccc1 ZINC000180538086 168747897 /nfs/dbraw/zinc/74/78/97/168747897.db2.gz VRVHNIVQSCIKTG-GOEBONIOSA-N 0 0 238.396 4.077 20 0 BIADRN CCCCC[S@](=O)[C@@H](CC)c1ccccc1 ZINC000180538107 385529179 /nfs/dbraw/zinc/52/91/79/385529179.db2.gz VRVHNIVQSCIKTG-HOCLYGCPSA-N 0 0 238.396 4.077 20 0 BIADRN CCCCC[S@@](=O)[C@H](CC)c1ccccc1 ZINC000180538128 385529702 /nfs/dbraw/zinc/52/97/02/385529702.db2.gz VRVHNIVQSCIKTG-GDBMZVCRSA-N 0 0 238.396 4.077 20 0 BIADRN CCCCC[S@](=O)[C@H](CC)c1ccccc1 ZINC000180538146 385529605 /nfs/dbraw/zinc/52/96/05/385529605.db2.gz VRVHNIVQSCIKTG-ZBFHGGJFSA-N 0 0 238.396 4.077 20 0 BIADRN CCCC[N@H+](CC)[C@@H](C)c1nc2ccccc2o1 ZINC000180902507 384286600 /nfs/dbraw/zinc/28/66/00/384286600.db2.gz OVSULYWARRWPBS-LBPRGKRZSA-N 0 0 246.354 4.011 20 0 BIADRN CCCC[N@H+](CC)[C@H](C)c1nc2ccccc2o1 ZINC000180902524 384286858 /nfs/dbraw/zinc/28/68/58/384286858.db2.gz OVSULYWARRWPBS-GFCCVEGCSA-N 0 0 246.354 4.011 20 0 BIADRN CC[C@H](SC[C@@H](C)OC)c1ccc(F)cc1 ZINC000181118239 366786713 /nfs/dbraw/zinc/78/67/13/366786713.db2.gz KXAYWPIFJXOZHC-MFKMUULPSA-N 0 0 242.359 4.045 20 0 BIADRN CC[C@@H](SC[C@@H](C)OC)c1ccc(F)cc1 ZINC000181118255 366786459 /nfs/dbraw/zinc/78/64/59/366786459.db2.gz KXAYWPIFJXOZHC-ZWNOBZJWSA-N 0 0 242.359 4.045 20 0 BIADRN CC[C@H](SC[C@H](C)OC)c1ccc(F)cc1 ZINC000181118276 366786304 /nfs/dbraw/zinc/78/63/04/366786304.db2.gz KXAYWPIFJXOZHC-GWCFXTLKSA-N 0 0 242.359 4.045 20 0 BIADRN CC[C@@H](SC[C@H](C)OC)c1ccc(F)cc1 ZINC000181118295 366786646 /nfs/dbraw/zinc/78/66/46/366786646.db2.gz KXAYWPIFJXOZHC-GXFFZTMASA-N 0 0 242.359 4.045 20 0 BIADRN c1ccc2cc(SC3CCOCC3)ccc2c1 ZINC000181300776 384485829 /nfs/dbraw/zinc/48/58/29/384485829.db2.gz NALAVKNINAGWIG-UHFFFAOYSA-N 0 0 244.359 4.111 20 0 BIADRN CC(C)c1ccc(SC2CCOCC2)cc1 ZINC000181318032 384489922 /nfs/dbraw/zinc/48/99/22/384489922.db2.gz DRUDJBOOTOBERV-UHFFFAOYSA-N 0 0 236.380 4.081 20 0 BIADRN Cc1oncc1CSc1ccc(C(C)C)cc1 ZINC000181750564 366845352 /nfs/dbraw/zinc/84/53/52/366845352.db2.gz WYDGTLRXVWKHEV-UHFFFAOYSA-N 0 0 247.363 4.399 20 0 BIADRN Cc1oncc1CSCc1cc(C)ccc1C ZINC000181762879 366847334 /nfs/dbraw/zinc/84/73/34/366847334.db2.gz FKHMGUHEAHCHEA-UHFFFAOYSA-N 0 0 247.363 4.033 20 0 BIADRN Cc1ncc([C@H](C)Nc2ccc(C)cc2C)s1 ZINC000181942113 538961481 /nfs/dbraw/zinc/96/14/81/538961481.db2.gz MFOGFSXGKIGIMF-NSHDSACASA-N 0 0 246.379 4.241 20 0 BIADRN Cc1ncc([C@@H](C)Nc2ccc(C)cc2C)s1 ZINC000181942132 538961436 /nfs/dbraw/zinc/96/14/36/538961436.db2.gz MFOGFSXGKIGIMF-LLVKDONJSA-N 0 0 246.379 4.241 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cncc(F)c2)c(C)c1 ZINC000181943355 385621813 /nfs/dbraw/zinc/62/18/13/385621813.db2.gz FQBVQZIWMLPUFD-LBPRGKRZSA-N 0 0 244.313 4.011 20 0 BIADRN Cc1ccc(N[C@H](C)c2cncc(F)c2)c(C)c1 ZINC000181943378 385621487 /nfs/dbraw/zinc/62/14/87/385621487.db2.gz FQBVQZIWMLPUFD-GFCCVEGCSA-N 0 0 244.313 4.011 20 0 BIADRN CC(=O)CS[C@H](C)c1ccc(C(C)C)cc1 ZINC000182070063 366864979 /nfs/dbraw/zinc/86/49/79/366864979.db2.gz BHFCSWRZPGYOIY-GFCCVEGCSA-N 0 0 236.380 4.193 20 0 BIADRN CC(=O)CS[C@@H](C)c1ccc(C(C)C)cc1 ZINC000182070086 366864915 /nfs/dbraw/zinc/86/49/15/366864915.db2.gz BHFCSWRZPGYOIY-LBPRGKRZSA-N 0 0 236.380 4.193 20 0 BIADRN CC(C)CS[C@@H](C)c1nc2ccccc2o1 ZINC000182211221 366875801 /nfs/dbraw/zinc/87/58/01/366875801.db2.gz GQQURRLXVCZRAI-JTQLQIEISA-N 0 0 235.352 4.278 20 0 BIADRN CC(C)CS[C@H](C)c1nc2ccccc2o1 ZINC000182211240 366876211 /nfs/dbraw/zinc/87/62/11/366876211.db2.gz GQQURRLXVCZRAI-SNVBAGLBSA-N 0 0 235.352 4.278 20 0 BIADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000182216257 259378024 /nfs/dbraw/zinc/37/80/24/259378024.db2.gz OABSWLPEANWCBM-BXUZGUMPSA-N 0 0 247.382 4.233 20 0 BIADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000182216278 259378092 /nfs/dbraw/zinc/37/80/92/259378092.db2.gz OABSWLPEANWCBM-SMDDNHRTSA-N 0 0 247.382 4.233 20 0 BIADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000182216297 259378027 /nfs/dbraw/zinc/37/80/27/259378027.db2.gz OABSWLPEANWCBM-RISCZKNCSA-N 0 0 247.382 4.233 20 0 BIADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000182216315 259378133 /nfs/dbraw/zinc/37/81/33/259378133.db2.gz OABSWLPEANWCBM-FZMZJTMJSA-N 0 0 247.382 4.233 20 0 BIADRN CCc1cccc(C)c1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000182218387 385646986 /nfs/dbraw/zinc/64/69/86/385646986.db2.gz MCEATUMZZMZDPU-AAEUAGOBSA-N 0 0 247.382 4.178 20 0 BIADRN CCc1cccc(C)c1NC(=O)[C@H](C)[C@@H](C)CC ZINC000182218404 385647305 /nfs/dbraw/zinc/64/73/05/385647305.db2.gz MCEATUMZZMZDPU-WCQYABFASA-N 0 0 247.382 4.178 20 0 BIADRN CCc1cccc(C)c1NC(=O)[C@@H](C)[C@H](C)CC ZINC000182218422 171854116 /nfs/dbraw/zinc/85/41/16/171854116.db2.gz MCEATUMZZMZDPU-YPMHNXCESA-N 0 0 247.382 4.178 20 0 BIADRN CCc1cccc(C)c1NC(=O)[C@H](C)[C@H](C)CC ZINC000182218439 171853871 /nfs/dbraw/zinc/85/38/71/171853871.db2.gz MCEATUMZZMZDPU-DGCLKSJQSA-N 0 0 247.382 4.178 20 0 BIADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000182276060 385593592 /nfs/dbraw/zinc/59/35/92/385593592.db2.gz PXHOVUJSTBFLCG-CHWSQXEVSA-N 0 0 247.382 4.431 20 0 BIADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000182276078 256617298 /nfs/dbraw/zinc/61/72/98/256617298.db2.gz PXHOVUJSTBFLCG-QWHCGFSZSA-N 0 0 247.382 4.431 20 0 BIADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000182276100 256617158 /nfs/dbraw/zinc/61/71/58/256617158.db2.gz PXHOVUJSTBFLCG-OLZOCXBDSA-N 0 0 247.382 4.431 20 0 BIADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000182276119 385593658 /nfs/dbraw/zinc/59/36/58/385593658.db2.gz PXHOVUJSTBFLCG-STQMWFEESA-N 0 0 247.382 4.431 20 0 BIADRN CCC1(C(=O)Nc2cccc(C)c2F)CCCC1 ZINC000182305968 366884418 /nfs/dbraw/zinc/88/44/18/366884418.db2.gz MUURICILSFTONR-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN Cc1ncc([C@H](C)Nc2cc(C)ccc2C)s1 ZINC000182476601 538963302 /nfs/dbraw/zinc/96/33/02/538963302.db2.gz KMFPTXKMPFOVTA-NSHDSACASA-N 0 0 246.379 4.241 20 0 BIADRN Cc1ncc([C@@H](C)Nc2cc(C)ccc2C)s1 ZINC000182476619 538963405 /nfs/dbraw/zinc/96/34/05/538963405.db2.gz KMFPTXKMPFOVTA-LLVKDONJSA-N 0 0 246.379 4.241 20 0 BIADRN Cc1ccc(C)c(N[C@@H](C)c2cncc(F)c2)c1 ZINC000182478241 385673325 /nfs/dbraw/zinc/67/33/25/385673325.db2.gz YBMHLKVJSVHAJR-LBPRGKRZSA-N 0 0 244.313 4.011 20 0 BIADRN Cc1ccc(C)c(N[C@H](C)c2cncc(F)c2)c1 ZINC000182478255 385674041 /nfs/dbraw/zinc/67/40/41/385674041.db2.gz YBMHLKVJSVHAJR-GFCCVEGCSA-N 0 0 244.313 4.011 20 0 BIADRN COCCC[C@H](C)Nc1cccc2ccccc21 ZINC000182499273 174264766 /nfs/dbraw/zinc/26/47/66/174264766.db2.gz LKMBCQDKQLTYTR-ZDUSSCGKSA-N 0 0 243.350 4.067 20 0 BIADRN COCCC[C@@H](C)Nc1cccc2ccccc21 ZINC000182499293 174262211 /nfs/dbraw/zinc/26/22/11/174262211.db2.gz LKMBCQDKQLTYTR-CYBMUJFWSA-N 0 0 243.350 4.067 20 0 BIADRN CCc1ccc([C@@H](C)Nc2ccccc2OC)o1 ZINC000182527768 366913977 /nfs/dbraw/zinc/91/39/77/366913977.db2.gz ACGHKFPETOSFRV-LLVKDONJSA-N 0 0 245.322 4.024 20 0 BIADRN CCc1ccc([C@H](C)Nc2ccccc2OC)o1 ZINC000182527785 366913855 /nfs/dbraw/zinc/91/38/55/366913855.db2.gz ACGHKFPETOSFRV-NSHDSACASA-N 0 0 245.322 4.024 20 0 BIADRN Cc1ncc([C@H](C)Nc2cccc(C)c2C)s1 ZINC000182535668 538963255 /nfs/dbraw/zinc/96/32/55/538963255.db2.gz ORASLZKZVQMBCC-NSHDSACASA-N 0 0 246.379 4.241 20 0 BIADRN Cc1ncc([C@@H](C)Nc2cccc(C)c2C)s1 ZINC000182535688 538963193 /nfs/dbraw/zinc/96/31/93/538963193.db2.gz ORASLZKZVQMBCC-LLVKDONJSA-N 0 0 246.379 4.241 20 0 BIADRN Cc1cccc(N[C@@H](C)c2cncc(F)c2)c1C ZINC000182537015 179152912 /nfs/dbraw/zinc/15/29/12/179152912.db2.gz CVKZLJXSSNBIFW-LBPRGKRZSA-N 0 0 244.313 4.011 20 0 BIADRN Cc1cccc(N[C@H](C)c2cncc(F)c2)c1C ZINC000182537031 179158008 /nfs/dbraw/zinc/15/80/08/179158008.db2.gz CVKZLJXSSNBIFW-GFCCVEGCSA-N 0 0 244.313 4.011 20 0 BIADRN CCc1ccccc1N[C@@H](C)c1cnc(C)s1 ZINC000182551778 538963240 /nfs/dbraw/zinc/96/32/40/538963240.db2.gz UVKTZVLVKOYKPQ-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1ccccc1N[C@H](C)c1cnc(C)s1 ZINC000182551797 538963355 /nfs/dbraw/zinc/96/33/55/538963355.db2.gz UVKTZVLVKOYKPQ-SNVBAGLBSA-N 0 0 246.379 4.187 20 0 BIADRN CCC[C@H](Nc1cccc(C)c1)c1ccccn1 ZINC000182647773 366927410 /nfs/dbraw/zinc/92/74/10/366927410.db2.gz GIFHSTOPZUAPNI-INIZCTEOSA-N 0 0 240.350 4.343 20 0 BIADRN CCC[C@@H](Nc1cccc(C)c1)c1ccccn1 ZINC000182647785 366927016 /nfs/dbraw/zinc/92/70/16/366927016.db2.gz GIFHSTOPZUAPNI-MRXNPFEDSA-N 0 0 240.350 4.343 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccc(Cl)nc2)c1 ZINC000182649579 633954040 /nfs/dbraw/zinc/95/40/40/633954040.db2.gz NTURBIUVWYGTJD-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccc(Cl)nc2)c1 ZINC000182649601 633954376 /nfs/dbraw/zinc/95/43/76/633954376.db2.gz NTURBIUVWYGTJD-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN CCc1ccc([C@@H](C)Nc2cccc(OC)c2)o1 ZINC000182655043 366927873 /nfs/dbraw/zinc/92/78/73/366927873.db2.gz UYSHAKSKLJCIII-LLVKDONJSA-N 0 0 245.322 4.024 20 0 BIADRN CCc1ccc([C@H](C)Nc2cccc(OC)c2)o1 ZINC000182655061 366927776 /nfs/dbraw/zinc/92/77/76/366927776.db2.gz UYSHAKSKLJCIII-NSHDSACASA-N 0 0 245.322 4.024 20 0 BIADRN CCC[C@H](Nc1ccc(F)cc1)c1ccccn1 ZINC000182663379 366928806 /nfs/dbraw/zinc/92/88/06/366928806.db2.gz NEWAERVSAIORAQ-HNNXBMFYSA-N 0 0 244.313 4.174 20 0 BIADRN CCC[C@@H](Nc1ccc(F)cc1)c1ccccn1 ZINC000182663401 366929621 /nfs/dbraw/zinc/92/96/21/366929621.db2.gz NEWAERVSAIORAQ-OAHLLOKOSA-N 0 0 244.313 4.174 20 0 BIADRN CCC[C@H](Nc1ccc(C)cc1)c1ccccn1 ZINC000182669708 366929426 /nfs/dbraw/zinc/92/94/26/366929426.db2.gz WXWUCRKOMRIGCQ-INIZCTEOSA-N 0 0 240.350 4.343 20 0 BIADRN CCC[C@@H](Nc1ccc(C)cc1)c1ccccn1 ZINC000182669729 366929060 /nfs/dbraw/zinc/92/90/60/366929060.db2.gz WXWUCRKOMRIGCQ-MRXNPFEDSA-N 0 0 240.350 4.343 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000182671002 711699220 /nfs/dbraw/zinc/69/92/20/711699220.db2.gz BYYBHUOSZZHVLD-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN COCCC[C@H](C)Nc1ccc2ccccc2c1 ZINC000182697044 174265050 /nfs/dbraw/zinc/26/50/50/174265050.db2.gz PWNFMOSZFNWOKF-ZDUSSCGKSA-N 0 0 243.350 4.067 20 0 BIADRN COCCC[C@@H](C)Nc1ccc2ccccc2c1 ZINC000182697064 174261308 /nfs/dbraw/zinc/26/13/08/174261308.db2.gz PWNFMOSZFNWOKF-CYBMUJFWSA-N 0 0 243.350 4.067 20 0 BIADRN Cc1ncc(-c2ccc(N[C@@H](C)C(C)C)cc2)o1 ZINC000182721461 366934915 /nfs/dbraw/zinc/93/49/15/366934915.db2.gz BFSGSPAUNXKSAC-NSHDSACASA-N 0 0 244.338 4.106 20 0 BIADRN Cc1ncc(-c2ccc(N[C@H](C)C(C)C)cc2)o1 ZINC000182721479 366935391 /nfs/dbraw/zinc/93/53/91/366935391.db2.gz BFSGSPAUNXKSAC-LLVKDONJSA-N 0 0 244.338 4.106 20 0 BIADRN COCCC[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000182728635 346810800 /nfs/dbraw/zinc/81/08/00/346810800.db2.gz LMFKHCQLGMKHFZ-ZDUSSCGKSA-N 0 0 235.371 4.037 20 0 BIADRN COCCC[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000182728653 346811041 /nfs/dbraw/zinc/81/10/41/346811041.db2.gz LMFKHCQLGMKHFZ-CYBMUJFWSA-N 0 0 235.371 4.037 20 0 BIADRN CCc1ccc(N[C@@H](C)c2cnc(C)s2)cc1 ZINC000182758510 538964043 /nfs/dbraw/zinc/96/40/43/538964043.db2.gz XEHAKTMZAKBQOM-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1ccc(N[C@H](C)c2cnc(C)s2)cc1 ZINC000182758531 538964168 /nfs/dbraw/zinc/96/41/68/538964168.db2.gz XEHAKTMZAKBQOM-SNVBAGLBSA-N 0 0 246.379 4.187 20 0 BIADRN CCc1cccc(N[C@@H](C)c2cnc(C)s2)c1 ZINC000182769728 538964030 /nfs/dbraw/zinc/96/40/30/538964030.db2.gz CXFGMFUKADVMOD-JTQLQIEISA-N 0 0 246.379 4.187 20 0 BIADRN CCc1cccc(N[C@H](C)c2cnc(C)s2)c1 ZINC000182769749 538964208 /nfs/dbraw/zinc/96/42/08/538964208.db2.gz CXFGMFUKADVMOD-SNVBAGLBSA-N 0 0 246.379 4.187 20 0 BIADRN COCCC[C@H](C)Nc1cccc(C(C)C)c1 ZINC000182799089 346814234 /nfs/dbraw/zinc/81/42/34/346814234.db2.gz NYGHYOXWRFEPHW-ZDUSSCGKSA-N 0 0 235.371 4.037 20 0 BIADRN COCCC[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000182799106 366944151 /nfs/dbraw/zinc/94/41/51/366944151.db2.gz NYGHYOXWRFEPHW-CYBMUJFWSA-N 0 0 235.371 4.037 20 0 BIADRN CCOCc1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000182947748 366960288 /nfs/dbraw/zinc/96/02/88/366960288.db2.gz OVCQBATWWUXMSY-LBPRGKRZSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000182947768 366960815 /nfs/dbraw/zinc/96/08/15/366960815.db2.gz OVCQBATWWUXMSY-GFCCVEGCSA-N 0 0 235.371 4.070 20 0 BIADRN CCC[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC000183040033 366968014 /nfs/dbraw/zinc/96/80/14/366968014.db2.gz KYXKLEYJTWQUEW-OAHLLOKOSA-N 0 0 249.398 4.058 20 0 BIADRN CCC[C@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC000183040054 366968195 /nfs/dbraw/zinc/96/81/95/366968195.db2.gz KYXKLEYJTWQUEW-HNNXBMFYSA-N 0 0 249.398 4.058 20 0 BIADRN C[C@H](Nc1cccc(C(F)F)c1)C1CCC1 ZINC000183074247 385505428 /nfs/dbraw/zinc/50/54/28/385505428.db2.gz MCNNWXXLMFRUBZ-VIFPVBQESA-N 0 0 225.282 4.225 20 0 BIADRN C[C@@H](Nc1cccc(C(F)F)c1)C1CCC1 ZINC000183074266 205678279 /nfs/dbraw/zinc/67/82/79/205678279.db2.gz MCNNWXXLMFRUBZ-SECBINFHSA-N 0 0 225.282 4.225 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@@H](C)c2ccco2)c1 ZINC000183093417 366975314 /nfs/dbraw/zinc/97/53/14/366975314.db2.gz KCQKYCVJUXEJMI-RYUDHWBXSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@H](C)c1cccc(N[C@@H](C)c2ccco2)c1 ZINC000183093434 366975953 /nfs/dbraw/zinc/97/59/53/366975953.db2.gz KCQKYCVJUXEJMI-NWDGAFQWSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@H](C)c2ccco2)c1 ZINC000183093455 366975833 /nfs/dbraw/zinc/97/58/33/366975833.db2.gz KCQKYCVJUXEJMI-NEPJUHHUSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@H](C)c1cccc(N[C@H](C)c2ccco2)c1 ZINC000183093476 366975923 /nfs/dbraw/zinc/97/59/23/366975923.db2.gz KCQKYCVJUXEJMI-VXGBXAGGSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000183096579 366977095 /nfs/dbraw/zinc/97/70/95/366977095.db2.gz IKUPACCMUCKBGI-RYUDHWBXSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@H](C)c1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000183096601 366977284 /nfs/dbraw/zinc/97/72/84/366977284.db2.gz IKUPACCMUCKBGI-NWDGAFQWSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@H](C)c2ccoc2)c1 ZINC000183096620 366977342 /nfs/dbraw/zinc/97/73/42/366977342.db2.gz IKUPACCMUCKBGI-NEPJUHHUSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@H](C)c1cccc(N[C@H](C)c2ccoc2)c1 ZINC000183096642 366976895 /nfs/dbraw/zinc/97/68/95/366976895.db2.gz IKUPACCMUCKBGI-VXGBXAGGSA-N 0 0 245.322 4.160 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000183102448 366976959 /nfs/dbraw/zinc/97/69/59/366976959.db2.gz CAUCJXDJGINZNK-RYUDHWBXSA-N 0 0 235.371 4.241 20 0 BIADRN CO[C@H](C)c1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000183102467 366977391 /nfs/dbraw/zinc/97/73/91/366977391.db2.gz CAUCJXDJGINZNK-NEPJUHHUSA-N 0 0 235.371 4.241 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000183102486 347119205 /nfs/dbraw/zinc/11/92/05/347119205.db2.gz CAUCJXDJGINZNK-NWDGAFQWSA-N 0 0 235.371 4.241 20 0 BIADRN CO[C@H](C)c1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000183102506 366977143 /nfs/dbraw/zinc/97/71/43/366977143.db2.gz CAUCJXDJGINZNK-VXGBXAGGSA-N 0 0 235.371 4.241 20 0 BIADRN CSCc1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000183108378 366977421 /nfs/dbraw/zinc/97/74/21/366977421.db2.gz DPOBQIUHQMAZGM-NSHDSACASA-N 0 0 247.363 4.316 20 0 BIADRN CSCc1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000183108399 366977220 /nfs/dbraw/zinc/97/72/20/366977220.db2.gz DPOBQIUHQMAZGM-LLVKDONJSA-N 0 0 247.363 4.316 20 0 BIADRN Cc1cc(CSC[C@@H](C)c2ccccc2)no1 ZINC000183263268 367006207 /nfs/dbraw/zinc/00/62/07/367006207.db2.gz FWCMQWNGQAGDEU-LLVKDONJSA-N 0 0 247.363 4.020 20 0 BIADRN Cc1cc(CSC[C@H](C)c2ccccc2)no1 ZINC000183263284 367006173 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CCC(=O)CCCSc1ccc(Cl)cc1 ZINC000183819778 206011957 /nfs/dbraw/zinc/01/19/57/206011957.db2.gz QDPBFNKCWIQSPG-UHFFFAOYSA-N 0 0 242.771 4.191 20 0 BIADRN CCC(=O)CCCSc1ccccc1Cl ZINC000183820820 385944945 /nfs/dbraw/zinc/94/49/45/385944945.db2.gz CIZZOCZBXPUDKS-UHFFFAOYSA-N 0 0 242.771 4.191 20 0 BIADRN CCC(=O)CCCSc1cccc(Cl)c1 ZINC000183878750 386053969 /nfs/dbraw/zinc/05/39/69/386053969.db2.gz UUFYQHRFJYJGHO-UHFFFAOYSA-N 0 0 242.771 4.191 20 0 BIADRN C[C@@H]1CSC(SCC2CCCCCC2)=N1 ZINC000183897962 643178877 /nfs/dbraw/zinc/17/88/77/643178877.db2.gz FQGZTEBBZBJUJF-SNVBAGLBSA-N 0 0 243.441 4.181 20 0 BIADRN C[C@H]1CSC(SCC2CCCCCC2)=N1 ZINC000183897973 643180141 /nfs/dbraw/zinc/18/01/41/643180141.db2.gz FQGZTEBBZBJUJF-JTQLQIEISA-N 0 0 243.441 4.181 20 0 BIADRN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccsc1 ZINC000184277252 388575507 /nfs/dbraw/zinc/57/55/07/388575507.db2.gz PTLLYMWMXSIXNJ-NSHDSACASA-N 0 0 249.354 4.080 20 0 BIADRN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccsc1 ZINC000184277266 388576173 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351797545 /nfs/dbraw/zinc/79/75/45/351797545.db2.gz WIBMFKRYUCWSPJ-HNNXBMFYSA-N 0 0 247.338 4.140 20 0 BIADRN CC(C)CC[C@@H](NCc1ccco1)c1ccoc1 ZINC000279112247 386633795 /nfs/dbraw/zinc/63/37/95/386633795.db2.gz WIBMFKRYUCWSPJ-OAHLLOKOSA-N 0 0 247.338 4.140 20 0 BIADRN CC(C)(C)c1cnc(CNc2ccccc2)s1 ZINC000279174904 188204628 /nfs/dbraw/zinc/20/46/28/188204628.db2.gz RDNPOAOYZZZNOO-UHFFFAOYSA-N 0 0 246.379 4.053 20 0 BIADRN CCC(CC)C(=O)Nc1c(C)cccc1Cl ZINC000279702314 168340286 /nfs/dbraw/zinc/34/02/86/168340286.db2.gz WFSJEUWPEAGQPF-UHFFFAOYSA-N 0 0 239.746 4.023 20 0 BIADRN CCC[C@@H](CC)SCc1nc(C)c(C)o1 ZINC000279821843 169381143 /nfs/dbraw/zinc/38/11/43/169381143.db2.gz BCATZDBWWCTXSC-LLVKDONJSA-N 0 0 227.373 4.103 20 0 BIADRN CCC[C@H](CC)SCc1nc(C)c(C)o1 ZINC000279821845 386742953 /nfs/dbraw/zinc/74/29/53/386742953.db2.gz BCATZDBWWCTXSC-NSHDSACASA-N 0 0 227.373 4.103 20 0 BIADRN CCC[C@H](CC)[S@](=O)[C@@H](C)c1ccccc1 ZINC000279902428 386751560 /nfs/dbraw/zinc/75/15/60/386751560.db2.gz CUMXVWQLAQBYKC-DUVNUKRYSA-N 0 0 238.396 4.075 20 0 BIADRN CCC[C@H](CC)[S@@](=O)[C@H](C)c1ccccc1 ZINC000279902434 386750527 /nfs/dbraw/zinc/75/05/27/386750527.db2.gz CUMXVWQLAQBYKC-INWMFGNUSA-N 0 0 238.396 4.075 20 0 BIADRN CCC[C@H](CC)[S@](=O)[C@H](C)c1ccccc1 ZINC000279902438 386752443 /nfs/dbraw/zinc/75/24/43/386752443.db2.gz CUMXVWQLAQBYKC-IVMMDQJWSA-N 0 0 238.396 4.075 20 0 BIADRN CCC[C@H](CC)[S@@](=O)[C@@H](C)c1ccccc1 ZINC000279902444 386752471 /nfs/dbraw/zinc/75/24/71/386752471.db2.gz CUMXVWQLAQBYKC-NOLJZWGESA-N 0 0 238.396 4.075 20 0 BIADRN Cc1cnc(CSC[C@@H](C)c2ccccc2)o1 ZINC000279940211 398053642 /nfs/dbraw/zinc/05/36/42/398053642.db2.gz MFMUEBCOJJWUCF-LLVKDONJSA-N 0 0 247.363 4.020 20 0 BIADRN Cc1cnc(CSC[C@H](C)c2ccccc2)o1 ZINC000279940215 398053685 /nfs/dbraw/zinc/05/36/85/398053685.db2.gz MFMUEBCOJJWUCF-NSHDSACASA-N 0 0 247.363 4.020 20 0 BIADRN CCC[C@@H](CC)SCc1nccn1C(F)F ZINC000280019122 169381105 /nfs/dbraw/zinc/38/11/05/169381105.db2.gz UQTBQFGYTUEDAJ-SECBINFHSA-N 0 0 248.342 4.090 20 0 BIADRN CCC[C@H](CC)SCc1nccn1C(F)F ZINC000280019125 169497250 /nfs/dbraw/zinc/49/72/50/169497250.db2.gz UQTBQFGYTUEDAJ-VIFPVBQESA-N 0 0 248.342 4.090 20 0 BIADRN Cc1cscc1NC(=O)c1ccoc1C(C)C ZINC000280483121 386817111 /nfs/dbraw/zinc/81/71/11/386817111.db2.gz ZOVQDJORFHPQLY-UHFFFAOYSA-N 0 0 249.335 4.025 20 0 BIADRN CC[C@H](Nc1ccn(C(C)C)n1)c1ccccc1 ZINC000280861031 385611784 /nfs/dbraw/zinc/61/17/84/385611784.db2.gz DNIALPVTBMTATF-AWEZNQCLSA-N 0 0 243.354 4.027 20 0 BIADRN CC[C@@H](Nc1ccn(C(C)C)n1)c1ccccc1 ZINC000280861034 351863567 /nfs/dbraw/zinc/86/35/67/351863567.db2.gz DNIALPVTBMTATF-CQSZACIVSA-N 0 0 243.354 4.027 20 0 BIADRN COc1ccccc1-c1nc(C2CC2)c(C)s1 ZINC000281024807 175311121 /nfs/dbraw/zinc/31/11/21/175311121.db2.gz NXDAQNMLTLGMJZ-UHFFFAOYSA-N 0 0 245.347 4.005 20 0 BIADRN CCc1cc(C)cc(CC)c1NC(=O)CC(C)C ZINC000281198680 385643625 /nfs/dbraw/zinc/64/36/25/385643625.db2.gz MRCFZRKVGXXNAL-UHFFFAOYSA-N 0 0 247.382 4.104 20 0 BIADRN CCc1cc(C)cc(CC)c1NC(=O)[C@H](C)CC ZINC000281220707 385647638 /nfs/dbraw/zinc/64/76/38/385647638.db2.gz OICWANBXWHHTGP-GFCCVEGCSA-N 0 0 247.382 4.104 20 0 BIADRN CCc1cc(C)cc(CC)c1NC(=O)[C@@H](C)CC ZINC000281220709 385647359 /nfs/dbraw/zinc/64/73/59/385647359.db2.gz OICWANBXWHHTGP-LBPRGKRZSA-N 0 0 247.382 4.104 20 0 BIADRN C/C=C(/C)C(=O)Nc1c(CC)cc(C)cc1CC ZINC000281248290 188206063 /nfs/dbraw/zinc/20/60/63/188206063.db2.gz QOLOQKANKPPPQR-SDQBBNPISA-N 0 0 245.366 4.025 20 0 BIADRN CCc1cc(C)cc(CC)c1NC(=O)C=C(C)C ZINC000281267870 385650717 /nfs/dbraw/zinc/65/07/17/385650717.db2.gz RZULIYXIZJAOSR-UHFFFAOYSA-N 0 0 245.366 4.025 20 0 BIADRN CC(C)(C)Nc1ccccc1NCc1ccco1 ZINC000281333599 385658257 /nfs/dbraw/zinc/65/82/57/385658257.db2.gz LLHQGINOAQHHJC-UHFFFAOYSA-N 0 0 244.338 4.102 20 0 BIADRN Cc1ccc(C[NH2+][C@H](C)c2cc(C)c(C)o2)s1 ZINC000282244645 385745620 /nfs/dbraw/zinc/74/56/20/385745620.db2.gz QCQHZBHATGBAEQ-LLVKDONJSA-N 0 0 249.379 4.117 20 0 BIADRN Cc1ccc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)s1 ZINC000282244647 385745630 /nfs/dbraw/zinc/74/56/30/385745630.db2.gz QCQHZBHATGBAEQ-NSHDSACASA-N 0 0 249.379 4.117 20 0 BIADRN CCCC[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000282535119 168941279 /nfs/dbraw/zinc/94/12/79/168941279.db2.gz MBXWRJDKPSPPNG-CYBMUJFWSA-N 0 0 233.355 4.068 20 0 BIADRN CCCC[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000282535120 168985099 /nfs/dbraw/zinc/98/50/99/168985099.db2.gz MBXWRJDKPSPPNG-ZDUSSCGKSA-N 0 0 233.355 4.068 20 0 BIADRN CCCC[C@@H](C)C(=O)Nc1ccsc1Cl ZINC000283515193 351974456 /nfs/dbraw/zinc/97/44/56/351974456.db2.gz MSKFDNCKGBIQMX-MRVPVSSYSA-N 0 0 245.775 4.166 20 0 BIADRN CCCC[C@H](C)C(=O)Nc1ccsc1Cl ZINC000283515194 351974359 /nfs/dbraw/zinc/97/43/59/351974359.db2.gz MSKFDNCKGBIQMX-QMMMGPOBSA-N 0 0 245.775 4.166 20 0 BIADRN Cc1ccc(-c2nc(C(F)F)cs2)c(C)c1 ZINC000283817706 178333333 /nfs/dbraw/zinc/33/33/33/178333333.db2.gz PPBXSZWCVMCUOW-UHFFFAOYSA-N 0 0 239.290 4.365 20 0 BIADRN FC(F)c1csc(C2CCCCC2)n1 ZINC000283946975 385841727 /nfs/dbraw/zinc/84/17/27/385841727.db2.gz WKNKBLALOBSWBN-UHFFFAOYSA-N 0 0 217.284 4.128 20 0 BIADRN FCCCCCNc1cccc(C(F)F)c1 ZINC000284469600 387188726 /nfs/dbraw/zinc/18/87/26/387188726.db2.gz RFEIYJYBQTZZBN-UHFFFAOYSA-N 0 0 231.261 4.176 20 0 BIADRN Cc1cscc1NC(=O)c1occc1C(C)C ZINC000284723540 385882767 /nfs/dbraw/zinc/88/27/67/385882767.db2.gz FZALNAPDQTYNRL-UHFFFAOYSA-N 0 0 249.335 4.025 20 0 BIADRN FCCCCSCc1csc(C2CC2)n1 ZINC000285149873 385903284 /nfs/dbraw/zinc/90/32/84/385903284.db2.gz ROWFFRCIRWLSSK-UHFFFAOYSA-N 0 0 245.388 4.003 20 0 BIADRN CC(C)(C)Nc1ccccc1NCCCCF ZINC000285199596 385905614 /nfs/dbraw/zinc/90/56/14/385905614.db2.gz OSCHZKFYUIURMD-UHFFFAOYSA-N 0 0 238.350 4.059 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cc(C)ccn2)c(C)c1 ZINC000285919852 179469883 /nfs/dbraw/zinc/46/98/83/179469883.db2.gz CICIRJVHAGNLDK-AWEZNQCLSA-N 0 0 240.350 4.180 20 0 BIADRN Cc1ccc(N[C@H](C)c2cc(C)ccn2)c(C)c1 ZINC000285919857 385977692 /nfs/dbraw/zinc/97/76/92/385977692.db2.gz CICIRJVHAGNLDK-CQSZACIVSA-N 0 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BTDVXVPQGAGGLU-NSHDSACASA-N 0 0 242.322 4.034 20 0 BIADRN c1cc(C2CC2)cc(N[C@H]2CCC23CCCC3)n1 ZINC000353538830 183334704 /nfs/dbraw/zinc/33/47/04/183334704.db2.gz IWYGRFDNZBSHQZ-AWEZNQCLSA-N 0 0 242.366 4.094 20 0 BIADRN c1cc(C2CC2)cc(N[C@@H]2CCC23CCCC3)n1 ZINC000353538831 183334406 /nfs/dbraw/zinc/33/44/06/183334406.db2.gz IWYGRFDNZBSHQZ-CQSZACIVSA-N 0 0 242.366 4.094 20 0 BIADRN c1cc(C2CC2)cc(NC2CCC3(CC3)CC2)n1 ZINC000353555580 183335062 /nfs/dbraw/zinc/33/50/62/183335062.db2.gz CTZDIKSUMXAKFQ-UHFFFAOYSA-N 0 0 242.366 4.094 20 0 BIADRN C[C@@H](Nc1cc(C2CC2)ccn1)c1ccccc1 ZINC000353555605 387228953 /nfs/dbraw/zinc/22/89/53/387228953.db2.gz DBRDQAUHOJDMLY-GFCCVEGCSA-N 0 0 238.334 4.132 20 0 BIADRN C[C@H](Nc1cc(C2CC2)ccn1)c1ccccc1 ZINC000353555607 176931825 /nfs/dbraw/zinc/93/18/25/176931825.db2.gz DBRDQAUHOJDMLY-LBPRGKRZSA-N 0 0 238.334 4.132 20 0 BIADRN CC(C)SCc1csc(C2CCCC2)n1 ZINC000353887341 167335898 /nfs/dbraw/zinc/33/58/98/167335898.db2.gz LNYGAOFUIBVYFZ-UHFFFAOYSA-N 0 0 241.425 4.442 20 0 BIADRN Clc1ccc(CSc2ccncc2)s1 ZINC000354498591 387384728 /nfs/dbraw/zinc/38/47/28/387384728.db2.gz CDUCTSLCVDCARC-UHFFFAOYSA-N 0 0 241.768 4.089 20 0 BIADRN Clc1cccc(CSCc2cccnc2)c1 ZINC000354557900 387394533 /nfs/dbraw/zinc/39/45/33/387394533.db2.gz GHLGKTVGGWQALQ-UHFFFAOYSA-N 0 0 249.766 4.168 20 0 BIADRN CSc1cccc(N(C)Cc2ccsc2)c1 ZINC000355361270 175579635 /nfs/dbraw/zinc/57/96/35/175579635.db2.gz GZRLIPZBLLODEW-UHFFFAOYSA-N 0 0 249.404 4.106 20 0 BIADRN CSc1ccc(N(C)Cc2ccsc2)cc1 ZINC000355372425 387527872 /nfs/dbraw/zinc/52/78/72/387527872.db2.gz VYVWPGIAEZVVTJ-UHFFFAOYSA-N 0 0 249.404 4.106 20 0 BIADRN FC(F)CSCc1ccccc1C1CC1 ZINC000355463217 180903886 /nfs/dbraw/zinc/90/38/86/180903886.db2.gz DZGKSUJJVWUGOP-UHFFFAOYSA-N 0 0 228.307 4.062 20 0 BIADRN C1[C@H](c2nc(C3CCCCC3)no2)C12CCCC2 ZINC000355743038 387575098 /nfs/dbraw/zinc/57/50/98/387575098.db2.gz CCPXJHZBIKKVFC-GFCCVEGCSA-N 0 0 246.354 4.165 20 0 BIADRN C1[C@@H](c2nc(C3CCCCC3)no2)C12CCCC2 ZINC000355743050 187375774 /nfs/dbraw/zinc/37/57/74/187375774.db2.gz CCPXJHZBIKKVFC-LBPRGKRZSA-N 0 0 246.354 4.165 20 0 BIADRN CC1=C(c2nc(C3CCCCC3)no2)CCC1 ZINC000355768169 168089381 /nfs/dbraw/zinc/08/93/81/168089381.db2.gz GQPOGETYGPKBSU-UHFFFAOYSA-N 0 0 232.327 4.075 20 0 BIADRN CC[C@]1(C)C[C@@H]1c1nc(C2CCCCC2)no1 ZINC000355774482 385708217 /nfs/dbraw/zinc/70/82/17/385708217.db2.gz SFULRCYEWFQLNF-BXUZGUMPSA-N 0 0 234.343 4.021 20 0 BIADRN CC[C@@]1(C)C[C@H]1c1nc(C2CCCCC2)no1 ZINC000355774483 171207902 /nfs/dbraw/zinc/20/79/02/171207902.db2.gz SFULRCYEWFQLNF-FZMZJTMJSA-N 0 0 234.343 4.021 20 0 BIADRN CC[C@]1(C)C[C@H]1c1nc(C2CCCCC2)no1 ZINC000355774488 385708976 /nfs/dbraw/zinc/70/89/76/385708976.db2.gz SFULRCYEWFQLNF-SMDDNHRTSA-N 0 0 234.343 4.021 20 0 BIADRN C[C@H]1CCC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000355818062 177123694 /nfs/dbraw/zinc/12/36/94/177123694.db2.gz CLWQXMLFCRGFKY-CMPLNLGQSA-N 0 0 234.343 4.021 20 0 BIADRN C[C@H]1CCC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000355818063 177138835 /nfs/dbraw/zinc/13/88/35/177138835.db2.gz CLWQXMLFCRGFKY-JQWIXIFHSA-N 0 0 234.343 4.021 20 0 BIADRN C[C@@H]1CCC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000355818064 176147042 /nfs/dbraw/zinc/14/70/42/176147042.db2.gz CLWQXMLFCRGFKY-PWSUYJOCSA-N 0 0 234.343 4.021 20 0 BIADRN C[C@@H]1CCC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000355818065 176125942 /nfs/dbraw/zinc/12/59/42/176125942.db2.gz CLWQXMLFCRGFKY-ZYHUDNBSSA-N 0 0 234.343 4.021 20 0 BIADRN C1[C@H](c2nc(C3CCCC3)no2)C12CCCCC2 ZINC000355823119 187376145 /nfs/dbraw/zinc/37/61/45/187376145.db2.gz XODIUSSWRYBXQY-GFCCVEGCSA-N 0 0 246.354 4.165 20 0 BIADRN C1[C@@H](c2nc(C3CCCC3)no2)C12CCCCC2 ZINC000355823120 187212316 /nfs/dbraw/zinc/21/23/16/187212316.db2.gz XODIUSSWRYBXQY-LBPRGKRZSA-N 0 0 246.354 4.165 20 0 BIADRN CC1(C)C[C@@H]1c1noc([C@H]2CC23CCCCC3)n1 ZINC000355871258 167990873 /nfs/dbraw/zinc/99/08/73/167990873.db2.gz GBRCDSWELXDBNR-GHMZBOCLSA-N 0 0 246.354 4.021 20 0 BIADRN CC1(C)C[C@@H]1c1noc([C@@H]2CC23CCCCC3)n1 ZINC000355871259 488112436 /nfs/dbraw/zinc/11/24/36/488112436.db2.gz GBRCDSWELXDBNR-MNOVXSKESA-N 0 0 246.354 4.021 20 0 BIADRN CC1(C)C[C@H]1c1noc([C@@H]2CC23CCCCC3)n1 ZINC000355871260 488112546 /nfs/dbraw/zinc/11/25/46/488112546.db2.gz GBRCDSWELXDBNR-QWRGUYRKSA-N 0 0 246.354 4.021 20 0 BIADRN CC1(C)C[C@H]1c1noc([C@H]2CC23CCCCC3)n1 ZINC000355871261 488113087 /nfs/dbraw/zinc/11/30/87/488113087.db2.gz GBRCDSWELXDBNR-WDEREUQCSA-N 0 0 246.354 4.021 20 0 BIADRN Cc1cc(NC(=O)CC2CCC2)ccc1C1CC1 ZINC000355876520 178127373 /nfs/dbraw/zinc/12/73/73/178127373.db2.gz CZYHORLUAADFPJ-UHFFFAOYSA-N 0 0 243.350 4.001 20 0 BIADRN CC[C@@H](C)c1noc([C@H]2CC23CCCCC3)n1 ZINC000355886590 387590813 /nfs/dbraw/zinc/59/08/13/387590813.db2.gz GDLLXRGOCYSLEV-GHMZBOCLSA-N 0 0 234.343 4.021 20 0 BIADRN CC[C@@H](C)c1noc([C@@H]2CC23CCCCC3)n1 ZINC000355886592 387590964 /nfs/dbraw/zinc/59/09/64/387590964.db2.gz GDLLXRGOCYSLEV-MNOVXSKESA-N 0 0 234.343 4.021 20 0 BIADRN CC[C@H](C)c1noc([C@@H]2CC23CCCCC3)n1 ZINC000355886595 387591514 /nfs/dbraw/zinc/59/15/14/387591514.db2.gz GDLLXRGOCYSLEV-QWRGUYRKSA-N 0 0 234.343 4.021 20 0 BIADRN CC[C@H](C)c1noc([C@H]2CC23CCCCC3)n1 ZINC000355886597 171415546 /nfs/dbraw/zinc/41/55/46/171415546.db2.gz GDLLXRGOCYSLEV-WDEREUQCSA-N 0 0 234.343 4.021 20 0 BIADRN Cc1cc(NC(=O)C2(C)CCC2)ccc1C1CC1 ZINC000355889379 178124890 /nfs/dbraw/zinc/12/48/90/178124890.db2.gz CXUOAXYKULHHEZ-UHFFFAOYSA-N 0 0 243.350 4.001 20 0 BIADRN Cc1cc(NC(=O)CCC2CC2)ccc1C1CC1 ZINC000355932876 178126779 /nfs/dbraw/zinc/12/67/79/178126779.db2.gz FDPVISZUSIOVES-UHFFFAOYSA-N 0 0 243.350 4.001 20 0 BIADRN CC1(C(=O)CSC2CCC(C)(C)CC2)CC1 ZINC000355936117 385827869 /nfs/dbraw/zinc/82/78/69/385827869.db2.gz RXMPJNAPJQQHGI-UHFFFAOYSA-N 0 0 240.412 4.058 20 0 BIADRN CCC1(C(=O)Nc2ccc(C3CC3)c(C)c2)CC1 ZINC000355944147 168441613 /nfs/dbraw/zinc/44/16/13/168441613.db2.gz PMVMVNOAGHZLQS-UHFFFAOYSA-N 0 0 243.350 4.001 20 0 BIADRN CC(C)(SCC(=O)C1(C)CC1)c1ccccc1 ZINC000355954470 535334114 /nfs/dbraw/zinc/33/41/14/535334114.db2.gz MRWFPNNABRIYRP-UHFFFAOYSA-N 0 0 248.391 4.024 20 0 BIADRN c1nc(CSC2CCCCC2)c(C2CC2)o1 ZINC000356036482 356785397 /nfs/dbraw/zinc/78/53/97/356785397.db2.gz NJXZCXKDHLVXDE-UHFFFAOYSA-N 0 0 237.368 4.118 20 0 BIADRN CC[C@@H](SCC(=O)C1(C)CC1)c1ccccc1 ZINC000356053595 356786579 /nfs/dbraw/zinc/78/65/79/356786579.db2.gz DLSHHSGWGWNGPH-CYBMUJFWSA-N 0 0 248.391 4.240 20 0 BIADRN CC[C@H](SCC(=O)C1(C)CC1)c1ccccc1 ZINC000356053635 387610259 /nfs/dbraw/zinc/61/02/59/387610259.db2.gz DLSHHSGWGWNGPH-ZDUSSCGKSA-N 0 0 248.391 4.240 20 0 BIADRN Cc1cnc([C@@H](C)SCCc2ccccc2)o1 ZINC000356086966 387613513 /nfs/dbraw/zinc/61/35/13/387613513.db2.gz SHJAVYSJGUYFCG-GFCCVEGCSA-N 0 0 247.363 4.020 20 0 BIADRN Cc1cnc([C@H](C)SCCc2ccccc2)o1 ZINC000356086968 387614174 /nfs/dbraw/zinc/61/41/74/387614174.db2.gz SHJAVYSJGUYFCG-LBPRGKRZSA-N 0 0 247.363 4.020 20 0 BIADRN Cc1cc(-c2nc(C3CCCC3)no2)sc1C ZINC000356094022 387616087 /nfs/dbraw/zinc/61/60/87/387616087.db2.gz HZMGTHGATPJACQ-UHFFFAOYSA-N 0 0 248.351 4.073 20 0 BIADRN C[C@@H]1CCC[C@@H](CSCc2nccs2)C1 ZINC000356105752 176119238 /nfs/dbraw/zinc/11/92/38/176119238.db2.gz OEEDMKAFFZEEJG-GHMZBOCLSA-N 0 0 241.425 4.203 20 0 BIADRN C[C@@H]1CCC[C@H](CSCc2nccs2)C1 ZINC000356105753 176139396 /nfs/dbraw/zinc/13/93/96/176139396.db2.gz OEEDMKAFFZEEJG-MNOVXSKESA-N 0 0 241.425 4.203 20 0 BIADRN C[C@H]1CCC[C@H](CSCc2nccs2)C1 ZINC000356105754 177133904 /nfs/dbraw/zinc/13/39/04/177133904.db2.gz OEEDMKAFFZEEJG-QWRGUYRKSA-N 0 0 241.425 4.203 20 0 BIADRN C[C@H]1CCC[C@@H](CSCc2nccs2)C1 ZINC000356105755 177120847 /nfs/dbraw/zinc/12/08/47/177120847.db2.gz OEEDMKAFFZEEJG-WDEREUQCSA-N 0 0 241.425 4.203 20 0 BIADRN Cc1ccccc1SCc1ncoc1C1CC1 ZINC000356164076 188365702 /nfs/dbraw/zinc/36/57/02/188365702.db2.gz IQILZQQADGLJDZ-UHFFFAOYSA-N 0 0 245.347 4.153 20 0 BIADRN Cc1cnc([C@@H](C)Sc2ccccc2C)o1 ZINC000356170915 387624242 /nfs/dbraw/zinc/62/42/42/387624242.db2.gz XIHMZASMFZYCRB-LLVKDONJSA-N 0 0 233.336 4.145 20 0 BIADRN Cc1cnc([C@H](C)Sc2ccccc2C)o1 ZINC000356170929 387624648 /nfs/dbraw/zinc/62/46/48/387624648.db2.gz XIHMZASMFZYCRB-NSHDSACASA-N 0 0 233.336 4.145 20 0 BIADRN Cc1cnc([C@H](C)SC2CCCCC2)o1 ZINC000356180848 387624403 /nfs/dbraw/zinc/62/44/03/387624403.db2.gz LQNDDODPAVTTHI-JTQLQIEISA-N 0 0 225.357 4.110 20 0 BIADRN Cc1cnc([C@@H](C)SC2CCCCC2)o1 ZINC000356180849 179650100 /nfs/dbraw/zinc/65/01/00/179650100.db2.gz LQNDDODPAVTTHI-SNVBAGLBSA-N 0 0 225.357 4.110 20 0 BIADRN CC(C)=C(F)c1nc(C2CCC(C)CC2)no1 ZINC000356189542 188065424 /nfs/dbraw/zinc/06/54/24/188065424.db2.gz GZZXJQHYDBZNMV-UHFFFAOYSA-N 0 0 238.306 4.084 20 0 BIADRN CC1CCC(c2noc(-c3ccsc3)n2)CC1 ZINC000356194532 168169084 /nfs/dbraw/zinc/16/90/84/168169084.db2.gz YLKDNXRKPBHPLV-UHFFFAOYSA-N 0 0 248.351 4.092 20 0 BIADRN CC1CCC(c2noc([C@H]3CC=CCC3)n2)CC1 ZINC000356195347 168169312 /nfs/dbraw/zinc/16/93/12/168169312.db2.gz PZOKDFDUEIUPTB-BPCQOVAHSA-N 0 0 246.354 4.187 20 0 BIADRN CC1CCC(c2noc([C@@H]3CC=CCC3)n2)CC1 ZINC000356195349 168170056 /nfs/dbraw/zinc/17/00/56/168170056.db2.gz PZOKDFDUEIUPTB-WXRRBKDZSA-N 0 0 246.354 4.187 20 0 BIADRN CC1CCC(c2noc(C3CCCC3)n2)CC1 ZINC000356210390 168169648 /nfs/dbraw/zinc/16/96/48/168169648.db2.gz DCEQVAAPNXMCJR-UHFFFAOYSA-N 0 0 234.343 4.021 20 0 BIADRN C[C@@H]1CCC[C@@H](c2noc(-c3ccsc3)n2)C1 ZINC000356212939 176126154 /nfs/dbraw/zinc/12/61/54/176126154.db2.gz HRBZONUVFIURLO-NXEZZACHSA-N 0 0 248.351 4.092 20 0 BIADRN C[C@H]1CCC[C@H](c2noc(-c3ccsc3)n2)C1 ZINC000356212941 177139454 /nfs/dbraw/zinc/13/94/54/177139454.db2.gz HRBZONUVFIURLO-UWVGGRQHSA-N 0 0 248.351 4.092 20 0 BIADRN C[C@H]1CCC[C@@H](c2noc(-c3ccsc3)n2)C1 ZINC000356212943 177123502 /nfs/dbraw/zinc/12/35/02/177123502.db2.gz HRBZONUVFIURLO-VHSXEESVSA-N 0 0 248.351 4.092 20 0 BIADRN C[C@@H]1CCC[C@H](c2noc(-c3ccsc3)n2)C1 ZINC000356212945 176146804 /nfs/dbraw/zinc/14/68/04/176146804.db2.gz HRBZONUVFIURLO-ZJUUUORDSA-N 0 0 248.351 4.092 20 0 BIADRN C[C@H]1CCC[C@@H](c2noc(C3CCCC3)n2)C1 ZINC000356214328 177123699 /nfs/dbraw/zinc/12/36/99/177123699.db2.gz 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167334399 /nfs/dbraw/zinc/33/43/99/167334399.db2.gz PFEWZOSLNDGFPP-UHFFFAOYSA-N 0 0 247.363 4.026 20 0 BIADRN CCC[C@@H](CNc1ccc2ccccc2c1)OC ZINC000378839484 712362535 /nfs/dbraw/zinc/36/25/35/712362535.db2.gz XDXGLDCBDJOKLJ-INIZCTEOSA-N 0 0 243.350 4.067 20 0 BIADRN CCC[C@H](CNc1ccc2ccccc2c1)OC ZINC000378839485 712362522 /nfs/dbraw/zinc/36/25/22/712362522.db2.gz XDXGLDCBDJOKLJ-MRXNPFEDSA-N 0 0 243.350 4.067 20 0 BIADRN CCSCOc1ccc(Cl)c(Cl)c1 ZINC000378850362 712366035 /nfs/dbraw/zinc/36/60/35/712366035.db2.gz DSXVGSFKWUYYRE-UHFFFAOYSA-N 0 0 237.151 4.083 20 0 BIADRN CCSCSCc1ccccc1Cl ZINC000378851369 712366065 /nfs/dbraw/zinc/36/60/65/712366065.db2.gz FTYHLVZBTFLYGH-UHFFFAOYSA-N 0 0 232.801 4.284 20 0 BIADRN CCSCSc1ccc(F)c(Cl)c1 ZINC000378851411 712366041 /nfs/dbraw/zinc/36/60/41/712366041.db2.gz FVUNWPIFWSEXOC-UHFFFAOYSA-N 0 0 236.764 4.282 20 0 BIADRN CSCSc1ccc(C(C)C)cc1 ZINC000378861191 712363987 /nfs/dbraw/zinc/36/39/87/712363987.db2.gz QLWUECSENHVSKD-UHFFFAOYSA-N 0 0 212.383 4.223 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712373613 /nfs/dbraw/zinc/37/36/13/712373613.db2.gz DTSNCTASXJHSDZ-CLFYSBASSA-N 0 0 210.745 4.002 20 0 BIADRN C/C(=C\Cl)CSCCCCCF ZINC000379321701 711799470 /nfs/dbraw/zinc/79/94/70/711799470.db2.gz DTSNCTASXJHSDZ-VQHVLOKHSA-N 0 0 210.745 4.002 20 0 BIADRN Cl/C=C\CSc1ccccc1Cl ZINC000379326925 712373981 /nfs/dbraw/zinc/37/39/81/712373981.db2.gz BJXNFNQXCJZUKJ-UTCJRWHESA-N 0 0 219.136 4.185 20 0 BIADRN CCSCSc1ccc(Cl)cc1 ZINC000379332217 712374304 /nfs/dbraw/zinc/37/43/04/712374304.db2.gz GQWHRIYDVOVEFI-UHFFFAOYSA-N 0 0 218.774 4.143 20 0 BIADRN CC[C@@H](C)SCCSC(C)(C)C ZINC000379333458 712374706 /nfs/dbraw/zinc/37/47/06/712374706.db2.gz KOUDWHZQNZDDFI-SECBINFHSA-N 0 0 206.420 4.050 20 0 BIADRN CC[C@H](C)SCCSC(C)(C)C ZINC000379333459 711799721 /nfs/dbraw/zinc/79/97/21/711799721.db2.gz KOUDWHZQNZDDFI-VIFPVBQESA-N 0 0 206.420 4.050 20 0 BIADRN CCSCSCC1CCCCC1 ZINC000379334683 711799680 /nfs/dbraw/zinc/79/96/80/711799680.db2.gz NBFYEWKRFDVJJN-UHFFFAOYSA-N 0 0 204.404 4.011 20 0 BIADRN CCCS[C@H](C)[C@H](C)SCCC ZINC000379335018 712374443 /nfs/dbraw/zinc/37/44/43/712374443.db2.gz NNBKFJLPYAGDFY-AOOOYVTPSA-N 0 0 206.420 4.050 20 0 BIADRN CCCS[C@H](C)[C@@H](C)SCCC ZINC000379335019 712374527 /nfs/dbraw/zinc/37/45/27/712374527.db2.gz NNBKFJLPYAGDFY-NXEZZACHSA-N 0 0 206.420 4.050 20 0 BIADRN CCCS[C@@H](C)[C@H](C)SCCC ZINC000379335020 712374437 /nfs/dbraw/zinc/37/44/37/712374437.db2.gz NNBKFJLPYAGDFY-UWVGGRQHSA-N 0 0 206.420 4.050 20 0 BIADRN CCCC(CCC)SC/C=C/Cl ZINC000379335191 712374670 /nfs/dbraw/zinc/37/46/70/712374670.db2.gz NXUZNKOTDCOGIC-VMPITWQZSA-N 0 0 206.782 4.441 20 0 BIADRN CCCC(CCC)SC/C=C\Cl ZINC000379335192 712374779 /nfs/dbraw/zinc/37/47/79/712374779.db2.gz NXUZNKOTDCOGIC-YVMONPNESA-N 0 0 206.782 4.441 20 0 BIADRN CCSCSc1cccc(Cl)c1 ZINC000379337081 712374374 /nfs/dbraw/zinc/37/43/74/712374374.db2.gz VINDNZPXUFDZNC-UHFFFAOYSA-N 0 0 218.774 4.143 20 0 BIADRN C[C@@H](SCCF)c1ccc(Cl)cc1 ZINC000379344070 356444118 /nfs/dbraw/zinc/44/41/18/356444118.db2.gz ODKPKAVEYZJIJS-MRVPVSSYSA-N 0 0 218.724 4.104 20 0 BIADRN C[C@H](SCCF)c1ccc(Cl)cc1 ZINC000379344071 356444711 /nfs/dbraw/zinc/44/47/11/356444711.db2.gz ODKPKAVEYZJIJS-QMMMGPOBSA-N 0 0 218.724 4.104 20 0 BIADRN C[C@@H](SCCC1CC1)c1cccs1 ZINC000379356753 711799978 /nfs/dbraw/zinc/79/99/78/711799978.db2.gz PEYPKBUTVPZILR-SECBINFHSA-N 0 0 212.383 4.342 20 0 BIADRN C[C@H](SCCC1CC1)c1cccs1 ZINC000379356754 712376103 /nfs/dbraw/zinc/37/61/03/712376103.db2.gz PEYPKBUTVPZILR-VIFPVBQESA-N 0 0 212.383 4.342 20 0 BIADRN Cc1ccc(C)c(SC/C=C\Cl)c1 ZINC000379356767 712376025 /nfs/dbraw/zinc/37/60/25/712376025.db2.gz PGMRMDFBXMSMNH-UTCJRWHESA-N 0 0 212.745 4.148 20 0 BIADRN CSc1ccccc1CSC(C)C ZINC000379357611 356444938 /nfs/dbraw/zinc/44/49/38/356444938.db2.gz RYZGTHAZAFDBJN-UHFFFAOYSA-N 0 0 212.383 4.050 20 0 BIADRN Cc1ccc(SC/C=C\Cl)c(C)c1 ZINC000379359680 712375939 /nfs/dbraw/zinc/37/59/39/712375939.db2.gz ZLYCHURKGULNIU-UTCJRWHESA-N 0 0 212.745 4.148 20 0 BIADRN FCCSCc1c(Cl)cccc1Cl ZINC000379364234 356452101 /nfs/dbraw/zinc/45/21/01/356452101.db2.gz LZEKJKZCHZDWQI-UHFFFAOYSA-N 0 0 239.142 4.196 20 0 BIADRN FCCCCSc1ccccc1Cl ZINC000379365355 356447737 /nfs/dbraw/zinc/44/77/37/356447737.db2.gz OSGGGVCAVCJOCS-UHFFFAOYSA-N 0 0 218.724 4.182 20 0 BIADRN CCC[C@@H](CC)S[C@H](C)C(F)(F)F ZINC000379368092 356448599 /nfs/dbraw/zinc/44/85/99/356448599.db2.gz WRBQPCBPEUANBN-HTQZYQBOSA-N 0 0 214.296 4.249 20 0 BIADRN CCC[C@@H](CC)S[C@@H](C)C(F)(F)F ZINC000379368093 356448300 /nfs/dbraw/zinc/44/83/00/356448300.db2.gz WRBQPCBPEUANBN-JGVFFNPUSA-N 0 0 214.296 4.249 20 0 BIADRN CCC[C@H](CC)S[C@H](C)C(F)(F)F ZINC000379368094 356448640 /nfs/dbraw/zinc/44/86/40/356448640.db2.gz WRBQPCBPEUANBN-SFYZADRCSA-N 0 0 214.296 4.249 20 0 BIADRN CCC[C@H](CC)S[C@@H](C)C(F)(F)F ZINC000379368095 356448604 /nfs/dbraw/zinc/44/86/04/356448604.db2.gz WRBQPCBPEUANBN-YUMQZZPRSA-N 0 0 214.296 4.249 20 0 BIADRN CSCCCSCCSC(C)(C)C ZINC000379368679 712377963 /nfs/dbraw/zinc/37/79/63/712377963.db2.gz YWCZLIVLBGNWCY-UHFFFAOYSA-N 0 0 238.487 4.004 20 0 BIADRN FCCCCCSC[C@H]1CC1(Cl)Cl ZINC000379376817 711800882 /nfs/dbraw/zinc/80/08/82/711800882.db2.gz VEBFVFXQRQCTKJ-MRVPVSSYSA-N 0 0 245.190 4.053 20 0 BIADRN FCCCCCSC[C@@H]1CC1(Cl)Cl ZINC000379376818 712379043 /nfs/dbraw/zinc/37/90/43/712379043.db2.gz VEBFVFXQRQCTKJ-QMMMGPOBSA-N 0 0 245.190 4.053 20 0 BIADRN CSCc1ccc(SC(C)C)cc1 ZINC000379377498 356448116 /nfs/dbraw/zinc/44/81/16/356448116.db2.gz XVFBWAFENBILFY-UHFFFAOYSA-N 0 0 212.383 4.050 20 0 BIADRN C/C(=C/Cl)CSCCSC(C)(C)C ZINC000379381480 712380374 /nfs/dbraw/zinc/38/03/74/712380374.db2.gz GXKPCKQANMATTH-CLFYSBASSA-N 0 0 238.849 4.394 20 0 BIADRN C/C(=C\Cl)CSCCSC(C)(C)C ZINC000379381481 712380405 /nfs/dbraw/zinc/38/04/05/712380405.db2.gz GXKPCKQANMATTH-VQHVLOKHSA-N 0 0 238.849 4.394 20 0 BIADRN CC(C)(C)CSCCSC(C)(C)C ZINC000379381765 712379538 /nfs/dbraw/zinc/37/95/38/712379538.db2.gz HJCUGKSCVPWSHR-UHFFFAOYSA-N 0 0 220.447 4.297 20 0 BIADRN C[C@@H](F)CCSc1ccccc1Cl ZINC000379385206 356450395 /nfs/dbraw/zinc/45/03/95/356450395.db2.gz RVPKJDVGGKZNND-MRVPVSSYSA-N 0 0 218.724 4.180 20 0 BIADRN C[C@H](F)CCSc1ccccc1Cl ZINC000379385207 356450290 /nfs/dbraw/zinc/45/02/90/356450290.db2.gz RVPKJDVGGKZNND-QMMMGPOBSA-N 0 0 218.724 4.180 20 0 BIADRN CCSCSc1ccc(C)cc1C ZINC000379391684 712381606 /nfs/dbraw/zinc/38/16/06/712381606.db2.gz QETHIUHOFIDAAP-UHFFFAOYSA-N 0 0 212.383 4.106 20 0 BIADRN CC(C)(C)SCCSC1CCCC1 ZINC000379394136 712381344 /nfs/dbraw/zinc/38/13/44/712381344.db2.gz WNVRVLCWLQJTDW-UHFFFAOYSA-N 0 0 218.431 4.194 20 0 BIADRN CCSCSc1cc(C)ccc1C ZINC000379394286 712381228 /nfs/dbraw/zinc/38/12/28/712381228.db2.gz WZJSTERDIVKAHI-UHFFFAOYSA-N 0 0 212.383 4.106 20 0 BIADRN CCSCCSc1ccccc1Cl ZINC000379399718 712382590 /nfs/dbraw/zinc/38/25/90/712382590.db2.gz HNKHRLGJSGIBOR-UHFFFAOYSA-N 0 0 232.801 4.185 20 0 BIADRN CCSCCSc1ccc(Cl)cc1 ZINC000379400719 711801316 /nfs/dbraw/zinc/80/13/16/711801316.db2.gz JGEDBVMYDQWXIZ-UHFFFAOYSA-N 0 0 232.801 4.185 20 0 BIADRN CC(C)CCCSCCC(F)(F)F ZINC000379401805 356877225 /nfs/dbraw/zinc/87/72/25/356877225.db2.gz LORWHPLJMBRNOO-UHFFFAOYSA-N 0 0 214.296 4.108 20 0 BIADRN CCC(CC)SCCc1cccs1 ZINC000379403131 711801394 /nfs/dbraw/zinc/80/13/94/711801394.db2.gz OLLZIFZUYKJTOX-UHFFFAOYSA-N 0 0 214.399 4.212 20 0 BIADRN c1csc(CCSc2cccs2)c1 ZINC000379406526 711801551 /nfs/dbraw/zinc/80/15/51/711801551.db2.gz WMRWUQAAOOBDQS-UHFFFAOYSA-N 0 0 226.391 4.144 20 0 BIADRN CC(C)(C)SCCSCCCCF ZINC000379409763 712383045 /nfs/dbraw/zinc/38/30/45/712383045.db2.gz DMQJQDMSUISYHD-UHFFFAOYSA-N 0 0 224.410 4.001 20 0 BIADRN CC(C)[C@H](C)SCCc1cccs1 ZINC000379411576 712383270 /nfs/dbraw/zinc/38/32/70/712383270.db2.gz IMHFVNXKJQWEOM-JTQLQIEISA-N 0 0 214.399 4.068 20 0 BIADRN CC(C)[C@@H](C)SCCc1cccs1 ZINC000379411577 712383122 /nfs/dbraw/zinc/38/31/22/712383122.db2.gz IMHFVNXKJQWEOM-SNVBAGLBSA-N 0 0 214.399 4.068 20 0 BIADRN CCCC(CCC)SCCSCC ZINC000379412487 712383402 /nfs/dbraw/zinc/38/34/02/712383402.db2.gz KIXHZWCOADTIDR-UHFFFAOYSA-N 0 0 220.447 4.442 20 0 BIADRN CCCCCSc1ncccc1Cl ZINC000379412651 357005239 /nfs/dbraw/zinc/00/52/39/357005239.db2.gz KOHISYQDWNENHT-UHFFFAOYSA-N 0 0 215.749 4.017 20 0 BIADRN CC(C)SCCSCC1CCCC1 ZINC000379413798 712383738 /nfs/dbraw/zinc/38/37/38/712383738.db2.gz MNRRDZQUCXMECR-UHFFFAOYSA-N 0 0 218.431 4.051 20 0 BIADRN CC(C)SCCSC1CCCCC1 ZINC000379417981 712384395 /nfs/dbraw/zinc/38/43/95/712384395.db2.gz VKAHNTKYSJJJTK-UHFFFAOYSA-N 0 0 218.431 4.194 20 0 BIADRN CC(C)(C)SCCSCCC1CC1 ZINC000379419214 712384452 /nfs/dbraw/zinc/38/44/52/712384452.db2.gz XQDVCOFLBWUFDK-UHFFFAOYSA-N 0 0 218.431 4.051 20 0 BIADRN CCCCNc1cccc(CC(F)(F)F)c1 ZINC000379458559 358499677 /nfs/dbraw/zinc/49/96/77/358499677.db2.gz PWXYQTAPWOEFNJ-UHFFFAOYSA-N 0 0 231.261 4.003 20 0 BIADRN Oc1cccc(SC/C=C\c2ccccc2)c1 ZINC000379548516 359547725 /nfs/dbraw/zinc/54/77/25/359547725.db2.gz JGTHFFWCDJFAMX-YVMONPNESA-N 0 0 242.343 4.198 20 0 BIADRN FCCCCNc1cc(Cl)ccc1Cl ZINC000379586183 359561202 /nfs/dbraw/zinc/56/12/02/359561202.db2.gz QPGCHWJCYDPJHA-UHFFFAOYSA-N 0 0 236.117 4.155 20 0 BIADRN c1ccc2c(c1)CCCc1sc(C3CC3)nc1-2 ZINC000379727800 343606779 /nfs/dbraw/zinc/60/67/79/343606779.db2.gz YSEVDVQWIBGEMZ-UHFFFAOYSA-N 0 0 241.359 4.176 20 0 BIADRN CCCc1nc(-c2cc(C)ccc2OC)cs1 ZINC000379731063 361371550 /nfs/dbraw/zinc/37/15/50/361371550.db2.gz QQQKDVNQRNMMKS-UHFFFAOYSA-N 0 0 247.363 4.080 20 0 BIADRN Cc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)cs1 ZINC000379750150 361487589 /nfs/dbraw/zinc/48/75/89/361487589.db2.gz JUJLHOAGJPIRMP-ZDUSSCGKSA-N 0 0 245.391 4.216 20 0 BIADRN FCCCCCNc1c(F)cccc1Cl ZINC000379779547 365254198 /nfs/dbraw/zinc/25/41/98/365254198.db2.gz JVMOJVFLRSRTAH-UHFFFAOYSA-N 0 0 233.689 4.031 20 0 BIADRN FCCCCCNc1cc(F)ccc1Cl ZINC000379785575 398238599 /nfs/dbraw/zinc/23/85/99/398238599.db2.gz SLERXPXLMNGDSJ-UHFFFAOYSA-N 0 0 233.689 4.031 20 0 BIADRN CCCc1nc(-c2ccccc2C)cs1 ZINC000379786569 712398721 /nfs/dbraw/zinc/39/87/21/712398721.db2.gz BDQJIROKBUFXAP-UHFFFAOYSA-N 0 0 217.337 4.071 20 0 BIADRN C[C@H]1CC[C@@H]1Nc1cccc(-c2nccs2)c1 ZINC000379878612 712620345 /nfs/dbraw/zinc/62/03/45/712620345.db2.gz TWGSMLPZLMPVLR-GWCFXTLKSA-N 0 0 244.363 4.021 20 0 BIADRN C[C@H]1CC[C@H]1Nc1cccc(-c2nccs2)c1 ZINC000379878614 712620373 /nfs/dbraw/zinc/62/03/73/712620373.db2.gz TWGSMLPZLMPVLR-GXFFZTMASA-N 0 0 244.363 4.021 20 0 BIADRN C[C@@H]1CC[C@@H]1Nc1cccc(-c2nccs2)c1 ZINC000379878615 712620357 /nfs/dbraw/zinc/62/03/57/712620357.db2.gz TWGSMLPZLMPVLR-MFKMUULPSA-N 0 0 244.363 4.021 20 0 BIADRN C[C@@H]1CC[C@H]1Nc1cccc(-c2nccs2)c1 ZINC000379878616 712620365 /nfs/dbraw/zinc/62/03/65/712620365.db2.gz TWGSMLPZLMPVLR-ZWNOBZJWSA-N 0 0 244.363 4.021 20 0 BIADRN C[C@@H]1CSC[C@@H]1Nc1ccc2ccccc2c1 ZINC000379901861 712622212 /nfs/dbraw/zinc/62/22/12/712622212.db2.gz HUNKHZKKIURUMV-ABAIWWIYSA-N 0 0 243.375 4.003 20 0 BIADRN C[C@@H]1CSC[C@H]1Nc1ccc2ccccc2c1 ZINC000379901866 712622375 /nfs/dbraw/zinc/62/23/75/712622375.db2.gz HUNKHZKKIURUMV-IAQYHMDHSA-N 0 0 243.375 4.003 20 0 BIADRN 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CCSCc1cccc(NCC2(C)CC2)c1 ZINC000381413287 345822133 /nfs/dbraw/zinc/82/21/33/345822133.db2.gz VGSZVHLDRJVKML-UHFFFAOYSA-N 0 0 235.396 4.152 20 0 BIADRN COc1ccc(N[C@H](C)c2csc(C)c2)cc1 ZINC000381416642 710634586 /nfs/dbraw/zinc/63/45/86/710634586.db2.gz ZLBNHQROMAHUBL-LLVKDONJSA-N 0 0 247.363 4.238 20 0 BIADRN COc1ccc(N[C@@H](C)c2csc(C)c2)cc1 ZINC000381416644 710634334 /nfs/dbraw/zinc/63/43/34/710634334.db2.gz ZLBNHQROMAHUBL-NSHDSACASA-N 0 0 247.363 4.238 20 0 BIADRN CCSCc1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000381421733 710635565 /nfs/dbraw/zinc/63/55/65/710635565.db2.gz XMOPSAXKBWPHKV-BXUZGUMPSA-N 0 0 235.396 4.150 20 0 BIADRN CCSCc1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000381421738 710635757 /nfs/dbraw/zinc/63/57/57/710635757.db2.gz XMOPSAXKBWPHKV-FZMZJTMJSA-N 0 0 235.396 4.150 20 0 BIADRN CCSCc1cccc(N[C@H]2CC[C@H]2C)c1 ZINC000381421741 710635316 /nfs/dbraw/zinc/63/53/16/710635316.db2.gz XMOPSAXKBWPHKV-RISCZKNCSA-N 0 0 235.396 4.150 20 0 BIADRN CCSCc1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000381421744 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BIADRN Cc1cccc(N[C@H]2CCC23CCCC3)c1 ZINC000381534474 357401703 /nfs/dbraw/zinc/40/17/03/357401703.db2.gz DSYABZAOUCFSHF-AWEZNQCLSA-N 0 0 215.340 4.130 20 0 BIADRN Cc1cccc(N[C@@H]2CCC23CCCC3)c1 ZINC000381534477 367425569 /nfs/dbraw/zinc/42/55/69/367425569.db2.gz DSYABZAOUCFSHF-CQSZACIVSA-N 0 0 215.340 4.130 20 0 BIADRN FCCCCCNc1ccc(C2CC2)cc1 ZINC000381541097 539003296 /nfs/dbraw/zinc/00/32/96/539003296.db2.gz HWNWTNJNMHXIAI-UHFFFAOYSA-N 0 0 221.319 4.116 20 0 BIADRN CSc1cccc(NCc2ccsc2)c1C ZINC000381542323 346312077 /nfs/dbraw/zinc/31/20/77/346312077.db2.gz INJUEYQFYGTGFB-UHFFFAOYSA-N 0 0 249.404 4.391 20 0 BIADRN Fc1cccc(OC[C@@H]2CCCCC2(F)F)c1 ZINC000381543612 344518154 /nfs/dbraw/zinc/51/81/54/344518154.db2.gz SHZTXMCFIFHNRJ-JTQLQIEISA-N 0 0 244.256 4.030 20 0 BIADRN Fc1cccc(OC[C@H]2CCCCC2(F)F)c1 ZINC000381543613 344518186 /nfs/dbraw/zinc/51/81/86/344518186.db2.gz SHZTXMCFIFHNRJ-SNVBAGLBSA-N 0 0 244.256 4.030 20 0 BIADRN Cc1ccc(NCCCc2ccsc2)cc1 ZINC000381544294 346315692 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/nfs/dbraw/zinc/03/96/26/388039626.db2.gz QMTFUSRIOJMVGP-QWHCGFSZSA-N 0 0 238.396 4.214 20 0 BIADRN COCC[C@H](C)S[C@@H](C)c1cccc(C)c1 ZINC000446799676 388038803 /nfs/dbraw/zinc/03/88/03/388038803.db2.gz QMTFUSRIOJMVGP-STQMWFEESA-N 0 0 238.396 4.214 20 0 BIADRN CCC[C@@H](CC)Nc1cnn(C2CCCC2)c1C ZINC000446894172 388043823 /nfs/dbraw/zinc/04/38/23/388043823.db2.gz YDJRFYCZRVCLGK-CYBMUJFWSA-N 0 0 249.402 4.297 20 0 BIADRN CCC[C@H](CC)Nc1cnn(C2CCCC2)c1C ZINC000446894173 388043614 /nfs/dbraw/zinc/04/36/14/388043614.db2.gz YDJRFYCZRVCLGK-ZDUSSCGKSA-N 0 0 249.402 4.297 20 0 BIADRN CCCC[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446899507 201698993 /nfs/dbraw/zinc/69/89/93/201698993.db2.gz RSEYKJUQBCGKDK-GFCCVEGCSA-N 0 0 249.402 4.297 20 0 BIADRN CCCC[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446899508 201699740 /nfs/dbraw/zinc/69/97/40/201699740.db2.gz RSEYKJUQBCGKDK-LBPRGKRZSA-N 0 0 249.402 4.297 20 0 BIADRN Cc1c(NCCC(C)(C)C)cnn1C1CCCC1 ZINC000446900741 201700185 /nfs/dbraw/zinc/70/01/85/201700185.db2.gz QYFPSIGTNJJLPG-UHFFFAOYSA-N 0 0 249.402 4.155 20 0 BIADRN Cc1c(NC2CCCCC2)cnn1C1CCCC1 ZINC000446901083 201699098 /nfs/dbraw/zinc/69/90/98/201699098.db2.gz VROIKSPQKDOONQ-UHFFFAOYSA-N 0 0 247.386 4.051 20 0 BIADRN CC[C@@H](C)[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446907264 201700794 /nfs/dbraw/zinc/70/07/94/201700794.db2.gz VPXFCZRRUCUOMB-NEPJUHHUSA-N 0 0 249.402 4.153 20 0 BIADRN CC[C@H](C)[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446907265 201700746 /nfs/dbraw/zinc/70/07/46/201700746.db2.gz VPXFCZRRUCUOMB-NWDGAFQWSA-N 0 0 249.402 4.153 20 0 BIADRN CC[C@H](C)[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446907266 388043215 /nfs/dbraw/zinc/04/32/15/388043215.db2.gz VPXFCZRRUCUOMB-RYUDHWBXSA-N 0 0 249.402 4.153 20 0 BIADRN CC[C@@H](C)[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000446907267 201700404 /nfs/dbraw/zinc/70/04/04/201700404.db2.gz VPXFCZRRUCUOMB-VXGBXAGGSA-N 0 0 249.402 4.153 20 0 BIADRN CC[C@H](Nc1cnn(C2CCCC2)c1C)C(C)C ZINC000446913056 388043670 /nfs/dbraw/zinc/04/36/70/388043670.db2.gz CDJSXZQYERZGSB-AWEZNQCLSA-N 0 0 249.402 4.153 20 0 BIADRN CC[C@@H](Nc1cnn(C2CCCC2)c1C)C(C)C ZINC000446913057 388043604 /nfs/dbraw/zinc/04/36/04/388043604.db2.gz CDJSXZQYERZGSB-CQSZACIVSA-N 0 0 249.402 4.153 20 0 BIADRN Cc1cc(OCc2nccs2)ccc1C(C)C ZINC000446940281 201701802 /nfs/dbraw/zinc/70/18/02/201701802.db2.gz DXFDMNNBWDKDKK-UHFFFAOYSA-N 0 0 247.363 4.154 20 0 BIADRN CCc1ccc(CSCc2nccs2)cc1 ZINC000446952130 397949778 /nfs/dbraw/zinc/94/97/78/397949778.db2.gz ZQTQSADJAXRQGX-UHFFFAOYSA-N 0 0 249.404 4.139 20 0 BIADRN c1csc(CSCCCC2CCCC2)n1 ZINC000446965494 397949614 /nfs/dbraw/zinc/94/96/14/397949614.db2.gz JVLRMUAQGLJSCJ-UHFFFAOYSA-N 0 0 241.425 4.347 20 0 BIADRN Cc1cccc(C)c1CSCc1nccs1 ZINC000446973348 201701838 /nfs/dbraw/zinc/70/18/38/201701838.db2.gz ZTUQJTOHAXAHOH-UHFFFAOYSA-N 0 0 249.404 4.193 20 0 BIADRN COCc1cccc(CS[C@H](C)C(C)C)c1 ZINC000446980098 388046286 /nfs/dbraw/zinc/04/62/86/388046286.db2.gz PQNHTBXPXFFXBM-GFCCVEGCSA-N 0 0 238.396 4.111 20 0 BIADRN COCc1cccc(CS[C@@H](C)C(C)C)c1 ZINC000446980099 388046772 /nfs/dbraw/zinc/04/67/72/388046772.db2.gz PQNHTBXPXFFXBM-LBPRGKRZSA-N 0 0 238.396 4.111 20 0 BIADRN Cc1ccsc1-c1nc(CC2CC2)cs1 ZINC000447179088 388056961 /nfs/dbraw/zinc/05/69/61/388056961.db2.gz XLIXNLMVBSMZCO-UHFFFAOYSA-N 0 0 235.377 4.133 20 0 BIADRN COCC[C@@H](C)Sc1ccc2ccccc2c1 ZINC000447288775 388059887 /nfs/dbraw/zinc/05/98/87/388059887.db2.gz SZCSBOPHOJWNMQ-GFCCVEGCSA-N 0 0 246.375 4.357 20 0 BIADRN COCC[C@H](C)Sc1ccc2ccccc2c1 ZINC000447288776 388060278 /nfs/dbraw/zinc/06/02/78/388060278.db2.gz SZCSBOPHOJWNMQ-LBPRGKRZSA-N 0 0 246.375 4.357 20 0 BIADRN CC(=O)[C@@H](C)SCc1ccc(C2CCC2)cc1 ZINC000447292789 388059207 /nfs/dbraw/zinc/05/92/07/388059207.db2.gz ADGNTKPMAVBCJU-GFCCVEGCSA-N 0 0 248.391 4.165 20 0 BIADRN CC(=O)[C@H](C)SCc1ccc(C2CCC2)cc1 ZINC000447292790 388059174 /nfs/dbraw/zinc/05/91/74/388059174.db2.gz ADGNTKPMAVBCJU-LBPRGKRZSA-N 0 0 248.391 4.165 20 0 BIADRN CC(C)c1ccc(SCC(=O)CC2CC2)cc1 ZINC000447308986 388063191 /nfs/dbraw/zinc/06/31/91/388063191.db2.gz JOZXEVWPCXQPDF-UHFFFAOYSA-N 0 0 248.391 4.271 20 0 BIADRN CC(C)c1cccc(OC[C@H]2CCO[C@@H](C)C2)c1 ZINC000447314819 388062463 /nfs/dbraw/zinc/06/24/63/388062463.db2.gz HJBRDNGBRHGMNY-KBPBESRZSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1cccc(OC[C@H]2CCO[C@H](C)C2)c1 ZINC000447314820 388062817 /nfs/dbraw/zinc/06/28/17/388062817.db2.gz HJBRDNGBRHGMNY-KGLIPLIRSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1cccc(OC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000447314822 388063290 /nfs/dbraw/zinc/06/32/90/388063290.db2.gz HJBRDNGBRHGMNY-UONOGXRCSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1cccc(OC[C@@H]2CCO[C@H](C)C2)c1 ZINC000447314824 201713849 /nfs/dbraw/zinc/71/38/49/201713849.db2.gz HJBRDNGBRHGMNY-ZIAGYGMSSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1ccc(OC[C@H]2CCO[C@@H](C)C2)cc1 ZINC000447316725 388063294 /nfs/dbraw/zinc/06/32/94/388063294.db2.gz HXYSJQYWKPSSEE-KBPBESRZSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1ccc(OC[C@H]2CCO[C@H](C)C2)cc1 ZINC000447316726 388062618 /nfs/dbraw/zinc/06/26/18/388062618.db2.gz HXYSJQYWKPSSEE-KGLIPLIRSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1ccc(OC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000447316727 388063324 /nfs/dbraw/zinc/06/33/24/388063324.db2.gz HXYSJQYWKPSSEE-UONOGXRCSA-N 0 0 248.366 4.004 20 0 BIADRN CC(C)c1ccc(OC[C@@H]2CCO[C@H](C)C2)cc1 ZINC000447316728 388062815 /nfs/dbraw/zinc/06/28/15/388062815.db2.gz HXYSJQYWKPSSEE-ZIAGYGMSSA-N 0 0 248.366 4.004 20 0 BIADRN Cc1csc(COc2cccc(C(C)C)c2)n1 ZINC000447345969 388066152 /nfs/dbraw/zinc/06/61/52/388066152.db2.gz APUVQOWUXSCURN-UHFFFAOYSA-N 0 0 247.363 4.154 20 0 BIADRN CCCC(C)(C)CC(=O)N(CC)[C@H](C)C(C)C ZINC000447347952 388065714 /nfs/dbraw/zinc/06/57/14/388065714.db2.gz OXUCHWMVLWBNAO-CYBMUJFWSA-N 0 0 241.419 4.096 20 0 BIADRN CCCC(C)(C)CC(=O)N(CC)[C@@H](C)C(C)C ZINC000447347953 388065370 /nfs/dbraw/zinc/06/53/70/388065370.db2.gz OXUCHWMVLWBNAO-ZDUSSCGKSA-N 0 0 241.419 4.096 20 0 BIADRN Cc1cc(C)cc(CSCc2ccncc2)c1 ZINC000447350793 388066090 /nfs/dbraw/zinc/06/60/90/388066090.db2.gz LMBUVBCRHOKAHW-UHFFFAOYSA-N 0 0 243.375 4.132 20 0 BIADRN CCCC(CCC)S[C@H](C)CCOC ZINC000447350961 388065773 /nfs/dbraw/zinc/06/57/73/388065773.db2.gz VYTRALCZAUZIMD-LLVKDONJSA-N 0 0 218.406 4.113 20 0 BIADRN CCCC(CCC)S[C@@H](C)CCOC ZINC000447350962 388065932 /nfs/dbraw/zinc/06/59/32/388065932.db2.gz VYTRALCZAUZIMD-NSHDSACASA-N 0 0 218.406 4.113 20 0 BIADRN CC(=O)[C@H](C)CSc1ccc(C(C)C)cc1 ZINC000447359365 388066028 /nfs/dbraw/zinc/06/60/28/388066028.db2.gz OVRMVXNYBQREFO-LLVKDONJSA-N 0 0 236.380 4.127 20 0 BIADRN CC(=O)[C@@H](C)CSc1ccc(C(C)C)cc1 ZINC000447359366 388065211 /nfs/dbraw/zinc/06/52/11/388065211.db2.gz OVRMVXNYBQREFO-NSHDSACASA-N 0 0 236.380 4.127 20 0 BIADRN CC(C)Nc1ccccc1COc1ccccc1 ZINC000447364988 388067461 /nfs/dbraw/zinc/06/74/61/388067461.db2.gz FLXRWKGMJIXKHX-UHFFFAOYSA-N 0 0 241.334 4.086 20 0 BIADRN c1coc(SCc2ccc(C3CCC3)cc2)n1 ZINC000447424914 388071228 /nfs/dbraw/zinc/07/12/28/388071228.db2.gz YURGSXLXIPWYJT-UHFFFAOYSA-N 0 0 245.347 4.234 20 0 BIADRN Cc1c(N[C@H](C)C(C)(C)C)cnn1C1CCCC1 ZINC000447554407 388078917 /nfs/dbraw/zinc/07/89/17/388078917.db2.gz VQKWLJIYOZGVOE-GFCCVEGCSA-N 0 0 249.402 4.153 20 0 BIADRN Cc1c(N[C@@H](C)C(C)(C)C)cnn1C1CCCC1 ZINC000447554408 388078468 /nfs/dbraw/zinc/07/84/68/388078468.db2.gz VQKWLJIYOZGVOE-LBPRGKRZSA-N 0 0 249.402 4.153 20 0 BIADRN C(CSC1CCCCC1)CC1CCOCC1 ZINC000447782757 388092569 /nfs/dbraw/zinc/09/25/69/388092569.db2.gz IYROBAUHKJOKSE-UHFFFAOYSA-N 0 0 242.428 4.259 20 0 BIADRN CCCCc1ccc(OCc2cccnc2)cc1 ZINC000447786559 388092286 /nfs/dbraw/zinc/09/22/86/388092286.db2.gz MRRMBYMFHXHXEJ-UHFFFAOYSA-N 0 0 241.334 4.003 20 0 BIADRN c1csc(-c2cccc(OC3CCCC3)c2)n1 ZINC000447796887 388093008 /nfs/dbraw/zinc/09/30/08/388093008.db2.gz YXJMYRKDHPWHBD-UHFFFAOYSA-N 0 0 245.347 4.132 20 0 BIADRN CCC(C)(C)c1ccc(NCc2cc[nH]c2)cc1 ZINC000447968871 388105380 /nfs/dbraw/zinc/10/53/80/388105380.db2.gz SOBKVOLAVXSHMH-UHFFFAOYSA-N 0 0 242.366 4.314 20 0 BIADRN Clc1ccccc1CCSc1ccncc1 ZINC000448095623 385114356 /nfs/dbraw/zinc/11/43/56/385114356.db2.gz ARFRJWWYLOZDMC-UHFFFAOYSA-N 0 0 249.766 4.070 20 0 BIADRN Cc1cc(C)c(CSc2ccncc2)c(C)c1 ZINC000448098774 385131745 /nfs/dbraw/zinc/13/17/45/385131745.db2.gz XFWKRGHCDQDBLP-UHFFFAOYSA-N 0 0 243.375 4.299 20 0 BIADRN Cc1ccccc1CCCSc1ccncc1 ZINC000448101258 385143856 /nfs/dbraw/zinc/14/38/56/385143856.db2.gz NFJXQHPHIAXBLU-UHFFFAOYSA-N 0 0 243.375 4.115 20 0 BIADRN C[C@H](Sc1ccncc1)c1cccc(F)c1 ZINC000448103405 398340111 /nfs/dbraw/zinc/34/01/11/398340111.db2.gz RWRBSUFURZDLPY-JTQLQIEISA-N 0 0 233.311 4.074 20 0 BIADRN C[C@@H](Sc1ccncc1)c1cccc(F)c1 ZINC000448103406 398340045 /nfs/dbraw/zinc/34/00/45/398340045.db2.gz RWRBSUFURZDLPY-SNVBAGLBSA-N 0 0 233.311 4.074 20 0 BIADRN Cc1ccccc1[C@@H](C)Sc1ccncc1 ZINC000448106499 491132172 /nfs/dbraw/zinc/13/21/72/491132172.db2.gz BMOCWZDGRYVJPQ-GFCCVEGCSA-N 0 0 229.348 4.243 20 0 BIADRN Cc1ccccc1[C@H](C)Sc1ccncc1 ZINC000448106500 205500459 /nfs/dbraw/zinc/50/04/59/205500459.db2.gz BMOCWZDGRYVJPQ-LBPRGKRZSA-N 0 0 229.348 4.243 20 0 BIADRN c1c2ccccc2oc1CSc1ccncc1 ZINC000448109506 385169090 /nfs/dbraw/zinc/16/90/90/385169090.db2.gz OXZHBJGRCUARIR-UHFFFAOYSA-N 0 0 241.315 4.120 20 0 BIADRN CCC(C)(C)CCSc1ccncc1 ZINC000448112823 385183773 /nfs/dbraw/zinc/18/37/73/385183773.db2.gz VILDEUMUPNTXJH-UHFFFAOYSA-N 0 0 209.358 4.000 20 0 BIADRN CCC(C)(C)c1ccc(NC(=O)C2=CCC2)cc1 ZINC000448536707 201178485 /nfs/dbraw/zinc/17/84/85/201178485.db2.gz CXZAJWAGUQQLKY-UHFFFAOYSA-N 0 0 243.350 4.033 20 0 BIADRN Cc1ccc(C)c(NC(=O)C(C)(C)C2CCC2)c1 ZINC000448554595 201256813 /nfs/dbraw/zinc/25/68/13/201256813.db2.gz LIKVJKGQLNFHAI-UHFFFAOYSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1cccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c1C ZINC000448556475 201262469 /nfs/dbraw/zinc/26/24/69/201262469.db2.gz FQYSXXDHMUAGGV-BLLLJJGKSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1cccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c1C ZINC000448556478 201262502 /nfs/dbraw/zinc/26/25/02/201262502.db2.gz FQYSXXDHMUAGGV-LRDDRELGSA-N 0 0 245.366 4.068 20 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Cc1cccc(NC(=O)CCCC(C)C)c1C ZINC000448557339 201263011 /nfs/dbraw/zinc/26/30/11/201263011.db2.gz IWSDBDKUFVGFJL-UHFFFAOYSA-N 0 0 233.355 4.068 20 0 BIADRN Cc1cccc(NC(=O)C(C)(C)C2CCC2)c1C ZINC000448557599 201262958 /nfs/dbraw/zinc/26/29/58/201262958.db2.gz KFZZNSNHRUWDHR-UHFFFAOYSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(NC(=O)C(C)(C)C2CCC2)c(C)c1 ZINC000448558695 201267465 /nfs/dbraw/zinc/26/74/65/201267465.db2.gz OTZVZKHMOJHPLR-UHFFFAOYSA-N 0 0 245.366 4.068 20 0 BIADRN C[C@]1(C(=O)Nc2ccccc2Cl)CC=CCC1 ZINC000448559484 201269723 /nfs/dbraw/zinc/26/97/23/201269723.db2.gz UVNUKTWMEXILHI-AWEZNQCLSA-N 0 0 249.741 4.025 20 0 BIADRN C[C@@]1(C(=O)Nc2ccccc2Cl)CC=CCC1 ZINC000448559485 201269742 /nfs/dbraw/zinc/26/97/42/201269742.db2.gz UVNUKTWMEXILHI-CQSZACIVSA-N 0 0 249.741 4.025 20 0 BIADRN CC(C)CCCC(=O)Nc1ccccc1Cl ZINC000448559814 201269132 /nfs/dbraw/zinc/26/91/32/201269132.db2.gz YHCCWNATNNZNEF-UHFFFAOYSA-N 0 0 239.746 4.105 20 0 BIADRN CC(C)CCCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000448613727 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388276210 /nfs/dbraw/zinc/27/62/10/388276210.db2.gz RURKDASRGRPHNT-SNVBAGLBSA-N 0 0 235.352 4.273 20 0 BIADRN CCC(C)(C)CCSCc1ccco1 ZINC000463031469 528505524 /nfs/dbraw/zinc/50/55/24/528505524.db2.gz XOCOHWRMNPRZCZ-UHFFFAOYSA-N 0 0 212.358 4.339 20 0 BIADRN Clc1ccc(OCC2CCC2)c(Cl)c1 ZINC000463034874 388276997 /nfs/dbraw/zinc/27/69/97/388276997.db2.gz NWPSVRCZZCSEEP-UHFFFAOYSA-N 0 0 231.122 4.172 20 0 BIADRN CCC(C)(C)CCSc1ccccn1 ZINC000463035066 388276989 /nfs/dbraw/zinc/27/69/89/388276989.db2.gz FONJKDUCDCMITN-UHFFFAOYSA-N 0 0 209.358 4.000 20 0 BIADRN Clc1ccc(OCC2CCC2)c2ncccc12 ZINC000463035569 224951522 /nfs/dbraw/zinc/95/15/22/224951522.db2.gz RHWUFTUCTHOGRY-UHFFFAOYSA-N 0 0 247.725 4.067 20 0 BIADRN Clc1cccc(OCC2CCC2)c1Cl ZINC000463035664 388276871 /nfs/dbraw/zinc/27/68/71/388276871.db2.gz ISZMETJDNWVRGP-UHFFFAOYSA-N 0 0 231.122 4.172 20 0 BIADRN Clc1cccc(Cl)c1OCC1CCC1 ZINC000463038043 388276593 /nfs/dbraw/zinc/27/65/93/388276593.db2.gz OMQRDONXMSJJFV-UHFFFAOYSA-N 0 0 231.122 4.172 20 0 BIADRN CCSCCCSCc1ccccc1 ZINC000463038807 388276790 /nfs/dbraw/zinc/27/67/90/388276790.db2.gz QUGWKMCSJJVMLG-UHFFFAOYSA-N 0 0 226.410 4.063 20 0 BIADRN Cc1cccc([C@@H](C)Sc2ccccn2)c1 ZINC000463039358 388276589 /nfs/dbraw/zinc/27/65/89/388276589.db2.gz RXZAUWSQWCHLBM-GFCCVEGCSA-N 0 0 229.348 4.243 20 0 BIADRN Cc1cccc([C@H](C)Sc2ccccn2)c1 ZINC000463039359 388276142 /nfs/dbraw/zinc/27/61/42/388276142.db2.gz RXZAUWSQWCHLBM-LBPRGKRZSA-N 0 0 229.348 4.243 20 0 BIADRN CCC[C@@H]1C[C@H]1c1nc(-c2cscc2C)no1 ZINC000463049975 388276710 /nfs/dbraw/zinc/27/67/10/388276710.db2.gz WCGXCHVJGMEDRH-NXEZZACHSA-N 0 0 248.351 4.010 20 0 BIADRN CCC[C@@H]1C[C@H]1c1nc(-c2sccc2C)no1 ZINC000463053980 388276552 /nfs/dbraw/zinc/27/65/52/388276552.db2.gz CPDLYDJDISTCRS-NXEZZACHSA-N 0 0 248.351 4.010 20 0 BIADRN CCC[C@@H]1C[C@H]1c1nc([C@@H](C)C(C)(C)C)no1 ZINC000463054085 388276445 /nfs/dbraw/zinc/27/64/45/388276445.db2.gz KIPVGGWRLHBKKU-GMTAPVOTSA-N 0 0 236.359 4.123 20 0 BIADRN CCC[C@@H]1C[C@H]1c1nc([C@H](C)C(C)(C)C)no1 ZINC000463054086 527868211 /nfs/dbraw/zinc/86/82/11/527868211.db2.gz KIPVGGWRLHBKKU-HBNTYKKESA-N 0 0 236.359 4.123 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@H]2CCCC2(C)C)c1 ZINC000463074987 388276901 /nfs/dbraw/zinc/27/69/01/388276901.db2.gz KTLFVAKTQOEESC-CYBMUJFWSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000463074988 388276996 /nfs/dbraw/zinc/27/69/96/388276996.db2.gz KTLFVAKTQOEESC-ZDUSSCGKSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000463076346 388276212 /nfs/dbraw/zinc/27/62/12/388276212.db2.gz XKXPBNPAIHMAOM-CYBMUJFWSA-N 0 0 247.382 4.314 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000463076347 388276557 /nfs/dbraw/zinc/27/65/57/388276557.db2.gz XKXPBNPAIHMAOM-ZDUSSCGKSA-N 0 0 247.382 4.314 20 0 BIADRN CCCCS[C@H](C)c1ccccc1OC ZINC000463188993 388088791 /nfs/dbraw/zinc/08/87/91/388088791.db2.gz AJKCZXGUHQBMRW-LLVKDONJSA-N 0 0 224.369 4.290 20 0 BIADRN CCCCS[C@@H](C)c1ccccc1OC ZINC000463188994 528742024 /nfs/dbraw/zinc/74/20/24/528742024.db2.gz AJKCZXGUHQBMRW-NSHDSACASA-N 0 0 224.369 4.290 20 0 BIADRN COc1ccccc1[C@@H](C)SCC(C)C ZINC000463198291 388088316 /nfs/dbraw/zinc/08/83/16/388088316.db2.gz DFTAZZGCUQOVCO-LLVKDONJSA-N 0 0 224.369 4.145 20 0 BIADRN COc1ccccc1[C@H](C)SCC(C)C ZINC000463198292 533010192 /nfs/dbraw/zinc/01/01/92/533010192.db2.gz DFTAZZGCUQOVCO-NSHDSACASA-N 0 0 224.369 4.145 20 0 BIADRN COc1ccccc1[C@@H](C)SCC1CCC1 ZINC000463198856 224954195 /nfs/dbraw/zinc/95/41/95/224954195.db2.gz NWUYLDZSAFLANG-LLVKDONJSA-N 0 0 236.380 4.290 20 0 BIADRN COc1ccccc1[C@H](C)SCC1CCC1 ZINC000463198858 388089172 /nfs/dbraw/zinc/08/91/72/388089172.db2.gz NWUYLDZSAFLANG-NSHDSACASA-N 0 0 236.380 4.290 20 0 BIADRN CC(C)[C@@H](C)SCc1ccc(F)c(F)c1 ZINC000463210164 388088284 /nfs/dbraw/zinc/08/82/84/388088284.db2.gz ADUIZLMNJKXFRH-SECBINFHSA-N 0 0 230.323 4.243 20 0 BIADRN CC(C)[C@H](C)SCc1ccc(F)c(F)c1 ZINC000463210183 528972876 /nfs/dbraw/zinc/97/28/76/528972876.db2.gz ADUIZLMNJKXFRH-VIFPVBQESA-N 0 0 230.323 4.243 20 0 BIADRN COc1ccccc1[C@@H](C)SC1CCCC1 ZINC000463210301 224956683 /nfs/dbraw/zinc/95/66/83/224956683.db2.gz MXTAZCOSJKPUHA-LLVKDONJSA-N 0 0 236.380 4.432 20 0 BIADRN COc1ccccc1[C@H](C)SC1CCCC1 ZINC000463210303 533008639 /nfs/dbraw/zinc/00/86/39/533008639.db2.gz MXTAZCOSJKPUHA-NSHDSACASA-N 0 0 236.380 4.432 20 0 BIADRN CC[C@@H](C)S[C@H](C)c1ccccc1OC ZINC000463211715 529387733 /nfs/dbraw/zinc/38/77/33/529387733.db2.gz JRRKVUCNKVMNJB-GHMZBOCLSA-N 0 0 224.369 4.288 20 0 BIADRN CC[C@@H](C)S[C@@H](C)c1ccccc1OC ZINC000463211717 388088495 /nfs/dbraw/zinc/08/84/95/388088495.db2.gz JRRKVUCNKVMNJB-MNOVXSKESA-N 0 0 224.369 4.288 20 0 BIADRN CC[C@H](C)S[C@@H](C)c1ccccc1OC ZINC000463211720 388089005 /nfs/dbraw/zinc/08/90/05/388089005.db2.gz JRRKVUCNKVMNJB-QWRGUYRKSA-N 0 0 224.369 4.288 20 0 BIADRN CC[C@H](C)S[C@H](C)c1ccccc1OC ZINC000463211722 388089289 /nfs/dbraw/zinc/08/92/89/388089289.db2.gz JRRKVUCNKVMNJB-WDEREUQCSA-N 0 0 224.369 4.288 20 0 BIADRN CC(C)[C@@H](C)SCCCOc1ccccc1 ZINC000463215697 528422620 /nfs/dbraw/zinc/42/26/20/528422620.db2.gz QUCLTODXFSRIMC-CYBMUJFWSA-N 0 0 238.396 4.233 20 0 BIADRN CC(C)[C@H](C)SCCCOc1ccccc1 ZINC000463215698 388089528 /nfs/dbraw/zinc/08/95/28/388089528.db2.gz QUCLTODXFSRIMC-ZDUSSCGKSA-N 0 0 238.396 4.233 20 0 BIADRN CC(C)[C@H](C)SCc1cccc(F)c1 ZINC000463215749 388089691 /nfs/dbraw/zinc/08/96/91/388089691.db2.gz RJKBXFMUKUKRLE-JTQLQIEISA-N 0 0 212.333 4.103 20 0 BIADRN CC(C)[C@@H](C)SCc1cccc(F)c1 ZINC000463215756 528422716 /nfs/dbraw/zinc/42/27/16/528422716.db2.gz RJKBXFMUKUKRLE-SNVBAGLBSA-N 0 0 212.333 4.103 20 0 BIADRN CCCc1nc(CS[C@@H](C)C(C)C)cs1 ZINC000463218470 388089916 /nfs/dbraw/zinc/08/99/16/388089916.db2.gz KNPKDLVNQOOEIE-JTQLQIEISA-N 0 0 243.441 4.373 20 0 BIADRN CCCc1nc(CS[C@H](C)C(C)C)cs1 ZINC000463218471 388089811 /nfs/dbraw/zinc/08/98/11/388089811.db2.gz KNPKDLVNQOOEIE-SNVBAGLBSA-N 0 0 243.441 4.373 20 0 BIADRN CC(C)[C@@H](C)SCCc1ccccc1 ZINC000463222276 388089947 /nfs/dbraw/zinc/08/99/47/388089947.db2.gz KPAACCYDQRCOGH-GFCCVEGCSA-N 0 0 208.370 4.007 20 0 BIADRN CC(C)[C@H](C)SCCc1ccccc1 ZINC000463222277 388089799 /nfs/dbraw/zinc/08/97/99/388089799.db2.gz KPAACCYDQRCOGH-LBPRGKRZSA-N 0 0 208.370 4.007 20 0 BIADRN CC(C)[C@H](C)SCc1ccc(F)cc1 ZINC000463222887 219871291 /nfs/dbraw/zinc/87/12/91/219871291.db2.gz NTBARCOEXPIDKY-JTQLQIEISA-N 0 0 212.333 4.103 20 0 BIADRN CC(C)[C@@H](C)SCc1ccc(F)cc1 ZINC000463222888 385504776 /nfs/dbraw/zinc/50/47/76/385504776.db2.gz NTBARCOEXPIDKY-SNVBAGLBSA-N 0 0 212.333 4.103 20 0 BIADRN CC(C)[C@H](C)SCc1ccccc1F ZINC000463223171 388090098 /nfs/dbraw/zinc/09/00/98/388090098.db2.gz YYDSWMSAILHZRB-JTQLQIEISA-N 0 0 212.333 4.103 20 0 BIADRN CC(C)[C@@H](C)SCc1ccccc1F ZINC000463223173 528422213 /nfs/dbraw/zinc/42/22/13/528422213.db2.gz YYDSWMSAILHZRB-SNVBAGLBSA-N 0 0 212.333 4.103 20 0 BIADRN CC(C)[C@@H](C)SCc1cc(F)ccc1F ZINC000463225296 388090172 /nfs/dbraw/zinc/09/01/72/388090172.db2.gz YDKJDOHOXSKCDG-SECBINFHSA-N 0 0 230.323 4.243 20 0 BIADRN CC(C)[C@H](C)SCc1cc(F)ccc1F ZINC000463225297 388090037 /nfs/dbraw/zinc/09/00/37/388090037.db2.gz YDKJDOHOXSKCDG-VIFPVBQESA-N 0 0 230.323 4.243 20 0 BIADRN COc1ccc(CCS[C@H](C)C(C)C)cc1 ZINC000463225392 388090251 /nfs/dbraw/zinc/09/02/51/388090251.db2.gz YXHBMVCSNBHMEG-GFCCVEGCSA-N 0 0 238.396 4.015 20 0 BIADRN COc1ccc(CCS[C@@H](C)C(C)C)cc1 ZINC000463225394 388089860 /nfs/dbraw/zinc/08/98/60/388089860.db2.gz YXHBMVCSNBHMEG-LBPRGKRZSA-N 0 0 238.396 4.015 20 0 BIADRN CC(C)[C@@H](C)SC/C=C\c1ccccc1 ZINC000463226261 388090168 /nfs/dbraw/zinc/09/01/68/388090168.db2.gz WVRVICZUIBDPCF-PGJNLMOESA-N 0 0 220.381 4.478 20 0 BIADRN CC(C)[C@H](C)SC/C=C/c1ccccc1 ZINC000463226262 388090197 /nfs/dbraw/zinc/09/01/97/388090197.db2.gz WVRVICZUIBDPCF-RSPDNQDQSA-N 0 0 220.381 4.478 20 0 BIADRN CC(C)[C@H](C)SC/C=C\c1ccccc1 ZINC000463226263 388090041 /nfs/dbraw/zinc/09/00/41/388090041.db2.gz WVRVICZUIBDPCF-SZNGSJQDSA-N 0 0 220.381 4.478 20 0 BIADRN CC(C)[C@@H](C)SC/C=C/c1ccccc1 ZINC000463226264 388090084 /nfs/dbraw/zinc/09/00/84/388090084.db2.gz WVRVICZUIBDPCF-UTSBKAFOSA-N 0 0 220.381 4.478 20 0 BIADRN CC(C)[C@@H](C)SCc1cccc(F)c1F ZINC000463226762 388089959 /nfs/dbraw/zinc/08/99/59/388089959.db2.gz NISGYDJVSYXUEG-SECBINFHSA-N 0 0 230.323 4.243 20 0 BIADRN CC(C)[C@H](C)SCc1cccc(F)c1F ZINC000463226763 528973585 /nfs/dbraw/zinc/97/35/85/528973585.db2.gz NISGYDJVSYXUEG-VIFPVBQESA-N 0 0 230.323 4.243 20 0 BIADRN COc1ccc(CS[C@@H](C)C(C)C)cc1F ZINC000463228683 388090048 /nfs/dbraw/zinc/09/00/48/388090048.db2.gz VZFQSYMERIZVQU-JTQLQIEISA-N 0 0 242.359 4.112 20 0 BIADRN COc1ccc(CS[C@H](C)C(C)C)cc1F ZINC000463228684 388089483 /nfs/dbraw/zinc/08/94/83/388089483.db2.gz VZFQSYMERIZVQU-SNVBAGLBSA-N 0 0 242.359 4.112 20 0 BIADRN Cc1cccc(OCCS[C@H](C)C(C)C)c1 ZINC000463233411 224956788 /nfs/dbraw/zinc/95/67/88/224956788.db2.gz YFSMMDOOEQNGDW-CYBMUJFWSA-N 0 0 238.396 4.152 20 0 BIADRN Cc1cccc(OCCS[C@@H](C)C(C)C)c1 ZINC000463233412 388089886 /nfs/dbraw/zinc/08/98/86/388089886.db2.gz YFSMMDOOEQNGDW-ZDUSSCGKSA-N 0 0 238.396 4.152 20 0 BIADRN CC(C)[C@H](C)SCc1ncc(C(C)(C)C)o1 ZINC000463233609 388089606 /nfs/dbraw/zinc/08/96/06/388089606.db2.gz CZUFCTZBWUKNFY-JTQLQIEISA-N 0 0 241.400 4.250 20 0 BIADRN CC(C)[C@@H](C)SCc1ncc(C(C)(C)C)o1 ZINC000463233610 388089623 /nfs/dbraw/zinc/08/96/23/388089623.db2.gz CZUFCTZBWUKNFY-SNVBAGLBSA-N 0 0 241.400 4.250 20 0 BIADRN Cc1ccc(NC(=O)CCCC2CCCC2)cc1 ZINC000463234606 388089739 /nfs/dbraw/zinc/08/97/39/388089739.db2.gz DPJFWUJGFVANKN-UHFFFAOYSA-N 0 0 245.366 4.294 20 0 BIADRN CC(C)[C@H](C)SCCO[C@@H]1CCCC[C@H]1C ZINC000463235658 388089928 /nfs/dbraw/zinc/08/99/28/388089928.db2.gz YIEHMTXMVMJIFS-HZSPNIEDSA-N 0 0 244.444 4.359 20 0 BIADRN CC(C)[C@H](C)SCCO[C@H]1CCCC[C@@H]1C ZINC000463235659 388089675 /nfs/dbraw/zinc/08/96/75/388089675.db2.gz YIEHMTXMVMJIFS-IHRRRGAJSA-N 0 0 244.444 4.359 20 0 BIADRN CC(C)[C@H](C)SCCO[C@@H]1CCCC[C@@H]1C 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CCC[C@](C)(CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000474077139 528451572 /nfs/dbraw/zinc/45/15/72/528451572.db2.gz UKPUVFSUGDIALV-BBRMVZONSA-N 0 0 247.382 4.080 20 0 BIADRN CCC[C@](C)(CC)C(=O)N[C@H](C)c1ccccc1 ZINC000474077140 528451324 /nfs/dbraw/zinc/45/13/24/528451324.db2.gz UKPUVFSUGDIALV-CJNGLKHVSA-N 0 0 247.382 4.080 20 0 BIADRN CCC[C@@](C)(CC)C(=O)N[C@H](C)c1ccccc1 ZINC000474077141 527883854 /nfs/dbraw/zinc/88/38/54/527883854.db2.gz UKPUVFSUGDIALV-CZUORRHYSA-N 0 0 247.382 4.080 20 0 BIADRN CCC[C@@](C)(CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000474077143 527883810 /nfs/dbraw/zinc/88/38/10/527883810.db2.gz UKPUVFSUGDIALV-XJKSGUPXSA-N 0 0 247.382 4.080 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1ccc(C)cc1 ZINC000474082138 528453242 /nfs/dbraw/zinc/45/32/42/528453242.db2.gz RQOQGMHSACJCTO-HNNXBMFYSA-N 0 0 233.355 4.150 20 0 BIADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(C)cc1 ZINC000474082139 527883824 /nfs/dbraw/zinc/88/38/24/527883824.db2.gz RQOQGMHSACJCTO-OAHLLOKOSA-N 0 0 233.355 4.150 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1ccc(C)cc1C ZINC000474082392 528452860 /nfs/dbraw/zinc/45/28/60/528452860.db2.gz MLADJXHLKXBDRF-INIZCTEOSA-N 0 0 247.382 4.458 20 0 BIADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(C)cc1C ZINC000474082394 527883886 /nfs/dbraw/zinc/88/38/86/527883886.db2.gz MLADJXHLKXBDRF-MRXNPFEDSA-N 0 0 247.382 4.458 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1cccc(C)c1C ZINC000474084909 528453371 /nfs/dbraw/zinc/45/33/71/528453371.db2.gz ZXCSZZUPEFFEEC-INIZCTEOSA-N 0 0 247.382 4.458 20 0 BIADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(C)c1C ZINC000474084910 527884264 /nfs/dbraw/zinc/88/42/64/527884264.db2.gz ZXCSZZUPEFFEEC-MRXNPFEDSA-N 0 0 247.382 4.458 20 0 BIADRN CCC[C@](C)(CC)C(=O)NC1CCCCCC1 ZINC000474086866 528449296 /nfs/dbraw/zinc/44/92/96/528449296.db2.gz HFCDMDJJDGSKHG-HNNXBMFYSA-N 0 0 239.403 4.042 20 0 BIADRN CCC[C@@](C)(CC)C(=O)NC1CCCCCC1 ZINC000474086867 527881186 /nfs/dbraw/zinc/88/11/86/527881186.db2.gz HFCDMDJJDGSKHG-OAHLLOKOSA-N 0 0 239.403 4.042 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1cccc(C)c1 ZINC000474098401 528453072 /nfs/dbraw/zinc/45/30/72/528453072.db2.gz SEVYNJZFCIELOP-HNNXBMFYSA-N 0 0 233.355 4.150 20 0 BIADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(C)c1 ZINC000474098402 527884891 /nfs/dbraw/zinc/88/48/91/527884891.db2.gz SEVYNJZFCIELOP-OAHLLOKOSA-N 0 0 233.355 4.150 20 0 BIADRN CCc1ccc(N[C@H](C)C2CCSCC2)cc1 ZINC000474372506 529689866 /nfs/dbraw/zinc/68/98/66/529689866.db2.gz DMLPWHQDRUFFHH-GFCCVEGCSA-N 0 0 249.423 4.193 20 0 BIADRN CCc1ccc(N[C@@H](C)C2CCSCC2)cc1 ZINC000474372507 529689511 /nfs/dbraw/zinc/68/95/11/529689511.db2.gz DMLPWHQDRUFFHH-LBPRGKRZSA-N 0 0 249.423 4.193 20 0 BIADRN Cc1cc(C)cc(N[C@H](C)C2CCSCC2)c1 ZINC000474376016 225116734 /nfs/dbraw/zinc/11/67/34/225116734.db2.gz MKQOVBOWRAIVLQ-CYBMUJFWSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1cc(C)cc(N[C@@H](C)C2CCSCC2)c1 ZINC000474376018 534082045 /nfs/dbraw/zinc/08/20/45/534082045.db2.gz MKQOVBOWRAIVLQ-ZDUSSCGKSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1ccc(N[C@H](C)C2CCSCC2)c(C)c1 ZINC000474376060 225116445 /nfs/dbraw/zinc/11/64/45/225116445.db2.gz KOGNKUWPZSKTPW-CYBMUJFWSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1ccc(N[C@@H](C)C2CCSCC2)c(C)c1 ZINC000474376063 225115959 /nfs/dbraw/zinc/11/59/59/225115959.db2.gz KOGNKUWPZSKTPW-ZDUSSCGKSA-N 0 0 249.423 4.247 20 0 BIADRN CCc1ccccc1N[C@H](C)C1CCSCC1 ZINC000474377888 529601440 /nfs/dbraw/zinc/60/14/40/529601440.db2.gz SBMPBUONJGPLOR-GFCCVEGCSA-N 0 0 249.423 4.193 20 0 BIADRN CCc1ccccc1N[C@@H](C)C1CCSCC1 ZINC000474377890 529601478 /nfs/dbraw/zinc/60/14/78/529601478.db2.gz SBMPBUONJGPLOR-LBPRGKRZSA-N 0 0 249.423 4.193 20 0 BIADRN CCc1cccc(N[C@H](C)C2CCSCC2)c1 ZINC000474384280 529543215 /nfs/dbraw/zinc/54/32/15/529543215.db2.gz JPKZURXYILHYPX-GFCCVEGCSA-N 0 0 249.423 4.193 20 0 BIADRN CCc1cccc(N[C@@H](C)C2CCSCC2)c1 ZINC000474384281 529543437 /nfs/dbraw/zinc/54/34/37/529543437.db2.gz JPKZURXYILHYPX-LBPRGKRZSA-N 0 0 249.423 4.193 20 0 BIADRN Cc1ccc(N[C@H](C)C2CCSCC2)cc1C ZINC000474389131 225115942 /nfs/dbraw/zinc/11/59/42/225115942.db2.gz LTQIZRYQRHGIGF-CYBMUJFWSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1ccc(N[C@@H](C)C2CCSCC2)cc1C ZINC000474389132 225116071 /nfs/dbraw/zinc/11/60/71/225116071.db2.gz LTQIZRYQRHGIGF-ZDUSSCGKSA-N 0 0 249.423 4.247 20 0 BIADRN CCc1c[nH]c(S[C@H](CC)c2ccccc2)n1 ZINC000474390491 529664799 /nfs/dbraw/zinc/66/47/99/529664799.db2.gz KVYMZQQVSOGQBF-CYBMUJFWSA-N 0 0 246.379 4.216 20 0 BIADRN CCc1c[nH]c(S[C@@H](CC)c2ccccc2)n1 ZINC000474390494 529664729 /nfs/dbraw/zinc/66/47/29/529664729.db2.gz KVYMZQQVSOGQBF-ZDUSSCGKSA-N 0 0 246.379 4.216 20 0 BIADRN CC(C)(C)c1cnc(SCc2ccccc2)o1 ZINC000474390729 526827887 /nfs/dbraw/zinc/82/78/87/526827887.db2.gz KTEYDNMMWWISAV-UHFFFAOYSA-N 0 0 247.363 4.264 20 0 BIADRN CCc1cccc(F)c1CNc1ccccc1 ZINC000474392016 529174328 /nfs/dbraw/zinc/17/43/28/529174328.db2.gz OFUDGGDQQNGYDD-UHFFFAOYSA-N 0 0 229.298 4.000 20 0 BIADRN CCC[C@@H](C)Sc1ncc(C(C)(C)C)o1 ZINC000474394691 528900903 /nfs/dbraw/zinc/90/09/03/528900903.db2.gz UENCSWWVGNWKRM-SECBINFHSA-N 0 0 227.373 4.253 20 0 BIADRN CCC[C@H](C)Sc1ncc(C(C)(C)C)o1 ZINC000474394696 528068145 /nfs/dbraw/zinc/06/81/45/528068145.db2.gz UENCSWWVGNWKRM-VIFPVBQESA-N 0 0 227.373 4.253 20 0 BIADRN Cc1ccc(C)c(N[C@H](C)C2CCSCC2)c1 ZINC000474399373 533687121 /nfs/dbraw/zinc/68/71/21/533687121.db2.gz YXJYCQVHWVHHGS-CYBMUJFWSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1ccc(C)c(N[C@@H](C)C2CCSCC2)c1 ZINC000474399374 533687600 /nfs/dbraw/zinc/68/76/00/533687600.db2.gz YXJYCQVHWVHHGS-ZDUSSCGKSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1cccc(N[C@H](C)C2CCSCC2)c1C ZINC000474400733 225116291 /nfs/dbraw/zinc/11/62/91/225116291.db2.gz AUPIGDAKQTVAPH-CYBMUJFWSA-N 0 0 249.423 4.247 20 0 BIADRN Cc1cccc(N[C@@H](C)C2CCSCC2)c1C ZINC000474400734 534749388 /nfs/dbraw/zinc/74/93/88/534749388.db2.gz AUPIGDAKQTVAPH-ZDUSSCGKSA-N 0 0 249.423 4.247 20 0 BIADRN CSCCc1ccc(N[C@H](C)C2CCC2)cc1 ZINC000474401971 533683393 /nfs/dbraw/zinc/68/33/93/533683393.db2.gz IKOOKACCCICVEC-GFCCVEGCSA-N 0 0 249.423 4.193 20 0 BIADRN CSCCc1ccc(N[C@@H](C)C2CCC2)cc1 ZINC000474401972 533682877 /nfs/dbraw/zinc/68/28/77/533682877.db2.gz IKOOKACCCICVEC-LBPRGKRZSA-N 0 0 249.423 4.193 20 0 BIADRN CCc1c[nH]c(S[C@H](C)c2cccc(C)c2)n1 ZINC000474403324 529665013 /nfs/dbraw/zinc/66/50/13/529665013.db2.gz PVHDXSCRVGXTPI-LLVKDONJSA-N 0 0 246.379 4.134 20 0 BIADRN CCc1c[nH]c(S[C@@H](C)c2cccc(C)c2)n1 ZINC000474403325 529664288 /nfs/dbraw/zinc/66/42/88/529664288.db2.gz PVHDXSCRVGXTPI-NSHDSACASA-N 0 0 246.379 4.134 20 0 BIADRN CC(C)(C)c1cnc(SC2CCCC2)o1 ZINC000474409272 526827785 /nfs/dbraw/zinc/82/77/85/526827785.db2.gz HNBFIEZRLSDXLM-UHFFFAOYSA-N 0 0 225.357 4.007 20 0 BIADRN CC(C)(C)c1cnc(S[C@H]2C=CCCC2)o1 ZINC000474409274 526827441 /nfs/dbraw/zinc/82/74/41/526827441.db2.gz HORREXPOJSZENA-JTQLQIEISA-N 0 0 237.368 4.173 20 0 BIADRN CC(C)(C)c1cnc(S[C@@H]2C=CCCC2)o1 ZINC000474409275 526828187 /nfs/dbraw/zinc/82/81/87/526828187.db2.gz HORREXPOJSZENA-SNVBAGLBSA-N 0 0 237.368 4.173 20 0 BIADRN CCCC(=O)NC(C)(C)CC1CCCCCC1 ZINC000474410731 527920236 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Cc1cc(NC(=O)C2CCCC2)ccc1C1CC1 ZINC000475855247 225141759 /nfs/dbraw/zinc/14/17/59/225141759.db2.gz SIFKFELXYQGPFI-UHFFFAOYSA-N 0 0 243.350 4.001 20 0 BIADRN Cc1cc(NC(=O)[C@H](C)C(C)C)ccc1C1CC1 ZINC000475858113 533982808 /nfs/dbraw/zinc/98/28/08/533982808.db2.gz QONFZVXZICLGBD-GFCCVEGCSA-N 0 0 245.366 4.103 20 0 BIADRN Cc1cc(NC(=O)[C@@H](C)C(C)C)ccc1C1CC1 ZINC000475858114 225141783 /nfs/dbraw/zinc/14/17/83/225141783.db2.gz QONFZVXZICLGBD-LBPRGKRZSA-N 0 0 245.366 4.103 20 0 BIADRN CCC[C@@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000475862268 528870657 /nfs/dbraw/zinc/87/06/57/528870657.db2.gz GFPJOGVLTMMJOO-LLVKDONJSA-N 0 0 245.366 4.247 20 0 BIADRN CCC[C@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000475862278 528021316 /nfs/dbraw/zinc/02/13/16/528021316.db2.gz GFPJOGVLTMMJOO-NSHDSACASA-N 0 0 245.366 4.247 20 0 BIADRN Cc1cc(NC(=O)CC(C)(C)C)ccc1C1CC1 ZINC000475869243 225141333 /nfs/dbraw/zinc/14/13/33/225141333.db2.gz FECKFOWOTNHVIG-UHFFFAOYSA-N 0 0 245.366 4.247 20 0 BIADRN CCC(CC)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000475871950 528725930 /nfs/dbraw/zinc/72/59/30/528725930.db2.gz XXNMYAVVONIUOP-UHFFFAOYSA-N 0 0 245.366 4.247 20 0 BIADRN C[C@H](CSCC(F)(F)F)c1ccccc1 ZINC000475875543 534136550 /nfs/dbraw/zinc/13/65/50/534136550.db2.gz IQADWZBWFFBFQT-SECBINFHSA-N 0 0 234.286 4.086 20 0 BIADRN C[C@@H](CSCC(F)(F)F)c1ccccc1 ZINC000475875544 534190810 /nfs/dbraw/zinc/19/08/10/534190810.db2.gz IQADWZBWFFBFQT-VIFPVBQESA-N 0 0 234.286 4.086 20 0 BIADRN C[C@@H](SC[C@@H](C)c1ccccc1)C(F)(F)F ZINC000475876300 225141470 /nfs/dbraw/zinc/14/14/70/225141470.db2.gz XKTSQQMYYVXRMX-NXEZZACHSA-N 0 0 248.313 4.474 20 0 BIADRN C[C@@H](CS[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000475876301 534193319 /nfs/dbraw/zinc/19/33/19/534193319.db2.gz XKTSQQMYYVXRMX-UWVGGRQHSA-N 0 0 248.313 4.474 20 0 BIADRN C[C@@H](CS[C@H](C)C(F)(F)F)c1ccccc1 ZINC000475876302 534193488 /nfs/dbraw/zinc/19/34/88/534193488.db2.gz XKTSQQMYYVXRMX-VHSXEESVSA-N 0 0 248.313 4.474 20 0 BIADRN C[C@H](CS[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000475876303 225143454 /nfs/dbraw/zinc/14/34/54/225143454.db2.gz XKTSQQMYYVXRMX-ZJUUUORDSA-N 0 0 248.313 4.474 20 0 BIADRN CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000475876883 528488060 /nfs/dbraw/zinc/48/80/60/528488060.db2.gz PNRSEESRQXDKFS-UHFFFAOYSA-N 0 0 245.366 4.247 20 0 BIADRN O=C(CC1CCCCCC1)Nc1ccsc1 ZINC000475880687 225143598 /nfs/dbraw/zinc/14/35/98/225143598.db2.gz LEFMZEVESCRMHE-UHFFFAOYSA-N 0 0 237.368 4.047 20 0 BIADRN CCCCC(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000475885044 528091722 /nfs/dbraw/zinc/09/17/22/528091722.db2.gz SEYFTCNOYJHCRF-UHFFFAOYSA-N 0 0 231.339 4.001 20 0 BIADRN Cc1oncc1CSC[C@@H](C)c1ccccc1 ZINC000475890594 225143319 /nfs/dbraw/zinc/14/33/19/225143319.db2.gz BMDKUBZGDLZFKO-LLVKDONJSA-N 0 0 247.363 4.020 20 0 BIADRN Cc1oncc1CSC[C@H](C)c1ccccc1 ZINC000475890595 225142715 /nfs/dbraw/zinc/14/27/15/225142715.db2.gz BMDKUBZGDLZFKO-NSHDSACASA-N 0 0 247.363 4.020 20 0 BIADRN C[C@H](CSCc1ccncc1)c1ccccc1 ZINC000475895129 225143634 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BIADRN CCC[C@@](C)(CC)C(=O)Nc1cscc1C ZINC000476431525 527885310 /nfs/dbraw/zinc/88/53/10/527885310.db2.gz CVJFMSUSKHBSAT-CYBMUJFWSA-N 0 0 239.384 4.211 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1cscc1C ZINC000476431526 528452824 /nfs/dbraw/zinc/45/28/24/528452824.db2.gz CVJFMSUSKHBSAT-ZDUSSCGKSA-N 0 0 239.384 4.211 20 0 BIADRN C[C@H](Sc1ccccc1O)c1ccc(F)cc1 ZINC000476468141 225150416 /nfs/dbraw/zinc/15/04/16/225150416.db2.gz ATRRZSSQIIIZKJ-JTQLQIEISA-N 0 0 248.322 4.385 20 0 BIADRN C[C@@H](Sc1ccccc1O)c1ccc(F)cc1 ZINC000476468142 534014430 /nfs/dbraw/zinc/01/44/30/534014430.db2.gz ATRRZSSQIIIZKJ-SNVBAGLBSA-N 0 0 248.322 4.385 20 0 BIADRN C[C@H](Sc1ccccc1O)c1cccc(F)c1 ZINC000476477740 225150260 /nfs/dbraw/zinc/15/02/60/225150260.db2.gz VALKPSXVEMYJSG-JTQLQIEISA-N 0 0 248.322 4.385 20 0 BIADRN C[C@@H](Sc1ccccc1O)c1cccc(F)c1 ZINC000476477741 534015175 /nfs/dbraw/zinc/01/51/75/534015175.db2.gz VALKPSXVEMYJSG-SNVBAGLBSA-N 0 0 248.322 4.385 20 0 BIADRN C[C@H](Sc1ccccc1O)c1ccccc1F ZINC000476509520 225150433 /nfs/dbraw/zinc/15/04/33/225150433.db2.gz JWDJAYOIXTXBKH-JTQLQIEISA-N 0 0 248.322 4.385 20 0 BIADRN C[C@@H](Sc1ccccc1O)c1ccccc1F ZINC000476509523 534014791 /nfs/dbraw/zinc/01/47/91/534014791.db2.gz JWDJAYOIXTXBKH-SNVBAGLBSA-N 0 0 248.322 4.385 20 0 BIADRN CC(C)n1ccnc1SCC1CCCCC1 ZINC000476639179 528608963 /nfs/dbraw/zinc/60/89/63/528608963.db2.gz KIMMSJSHOYQMJW-UHFFFAOYSA-N 0 0 238.400 4.136 20 0 BIADRN COc1ccccc1SCC1CCCCC1 ZINC000476644157 532958545 /nfs/dbraw/zinc/95/85/45/532958545.db2.gz SZVSSXGPDLFZMS-UHFFFAOYSA-N 0 0 236.380 4.368 20 0 BIADRN Cc1cccc(C)c1NC(=O)[C@H](C)CC(C)(C)C ZINC000476682805 225150993 /nfs/dbraw/zinc/15/09/93/225150993.db2.gz BTLQWLRKDDKEHZ-CYBMUJFWSA-N 0 0 247.382 4.314 20 0 BIADRN Cc1cccc(C)c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000476682807 225151058 /nfs/dbraw/zinc/15/10/58/225151058.db2.gz BTLQWLRKDDKEHZ-ZDUSSCGKSA-N 0 0 247.382 4.314 20 0 BIADRN Cc1ccc(SCC2CCCCC2)nc1 ZINC000476702839 225151650 /nfs/dbraw/zinc/15/16/50/225151650.db2.gz 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CCCCCNc1cccc(NC(=O)CCC)c1 ZINC000479477736 528216428 /nfs/dbraw/zinc/21/64/28/528216428.db2.gz DFNYPSVIDCXTCJ-UHFFFAOYSA-N 0 0 248.370 4.027 20 0 BIADRN CCCCCNc1cccc(CC(F)(F)F)c1 ZINC000479492061 528216993 /nfs/dbraw/zinc/21/69/93/528216993.db2.gz UUKHKEBGFFFEIW-UHFFFAOYSA-N 0 0 245.288 4.394 20 0 BIADRN COCCCSCc1ccc2ccccc2c1 ZINC000479493838 225185605 /nfs/dbraw/zinc/18/56/05/225185605.db2.gz CEPISLKUZABURT-UHFFFAOYSA-N 0 0 246.375 4.110 20 0 BIADRN CC(C)SCC[C@@H](C)OCc1ccccc1 ZINC000479500263 528321694 /nfs/dbraw/zinc/32/16/94/528321694.db2.gz HADCPNOUVHFYIS-CYBMUJFWSA-N 0 0 238.396 4.123 20 0 BIADRN CC(C)SCC[C@H](C)OCc1ccccc1 ZINC000479500265 528322238 /nfs/dbraw/zinc/32/22/38/528322238.db2.gz HADCPNOUVHFYIS-ZDUSSCGKSA-N 0 0 238.396 4.123 20 0 BIADRN Cc1ccc(CSCCCOC(C)C)cc1 ZINC000479501253 225185534 /nfs/dbraw/zinc/18/55/34/225185534.db2.gz JRUZGTRAVDPSNR-UHFFFAOYSA-N 0 0 238.396 4.043 20 0 BIADRN COCCCS[C@@H](C)c1cccc(Cl)c1 ZINC000479509328 225185265 /nfs/dbraw/zinc/18/52/65/225185265.db2.gz BZKUMVRTZYDJLH-JTQLQIEISA-N 0 0 244.787 4.171 20 0 BIADRN COCCCS[C@H](C)c1cccc(Cl)c1 ZINC000479509339 225185572 /nfs/dbraw/zinc/18/55/72/225185572.db2.gz BZKUMVRTZYDJLH-SNVBAGLBSA-N 0 0 244.787 4.171 20 0 BIADRN CC(C)OCCCS[C@H](C)c1ccccc1 ZINC000479514486 527949952 /nfs/dbraw/zinc/94/99/52/527949952.db2.gz OYMMXYBENGFTSZ-CYBMUJFWSA-N 0 0 238.396 4.296 20 0 BIADRN CC(C)OCCCS[C@@H](C)c1ccccc1 ZINC000479514487 527949541 /nfs/dbraw/zinc/94/95/41/527949541.db2.gz OYMMXYBENGFTSZ-ZDUSSCGKSA-N 0 0 238.396 4.296 20 0 BIADRN Cc1cccc(CSCCCOC(C)C)c1 ZINC000479515129 225187242 /nfs/dbraw/zinc/18/72/42/225187242.db2.gz RPZYLTCBIFEDLN-UHFFFAOYSA-N 0 0 238.396 4.043 20 0 BIADRN CCCSCC[C@@H](C)OCc1ccccc1 ZINC000479527311 528829294 /nfs/dbraw/zinc/82/92/94/528829294.db2.gz HSPVSUVAQRLSFQ-CYBMUJFWSA-N 0 0 238.396 4.125 20 0 BIADRN CCCSCC[C@H](C)OCc1ccccc1 ZINC000479527312 528829464 /nfs/dbraw/zinc/82/94/64/528829464.db2.gz HSPVSUVAQRLSFQ-ZDUSSCGKSA-N 0 0 238.396 4.125 20 0 BIADRN CC[C@@H](SCCCOC)c1ccc(F)cc1 ZINC000479548597 529253338 /nfs/dbraw/zinc/25/33/38/529253338.db2.gz XDZBWRAMHGCSKI-CYBMUJFWSA-N 0 0 242.359 4.047 20 0 BIADRN CC[C@H](SCCCOC)c1ccc(F)cc1 ZINC000479548600 529176076 /nfs/dbraw/zinc/17/60/76/529176076.db2.gz XDZBWRAMHGCSKI-ZDUSSCGKSA-N 0 0 242.359 4.047 20 0 BIADRN CCCSCc1cccc(C(F)F)c1 ZINC000479592767 528831154 /nfs/dbraw/zinc/83/11/54/528831154.db2.gz NWSYGLBHUPYDMK-UHFFFAOYSA-N 0 0 216.296 4.267 20 0 BIADRN FCCCSCc1cccc(C(F)F)c1 ZINC000479597489 534431820 /nfs/dbraw/zinc/43/18/20/534431820.db2.gz CJWVGSLQHWEPSD-UHFFFAOYSA-N 0 0 234.286 4.217 20 0 BIADRN CCC(C)(C)CCSCc1c(C)noc1C ZINC000479599839 528505423 /nfs/dbraw/zinc/50/54/23/528505423.db2.gz CCVHAKCPJOBQGS-UHFFFAOYSA-N 0 0 241.400 4.351 20 0 BIADRN CC(C)SCc1cccc(C(F)F)c1 ZINC000479600039 528322298 /nfs/dbraw/zinc/32/22/98/528322298.db2.gz IRGILKCSDYJVPQ-UHFFFAOYSA-N 0 0 216.296 4.266 20 0 BIADRN C/C=C\CSCc1cccc(C(F)F)c1 ZINC000479604036 526315369 /nfs/dbraw/zinc/31/53/69/526315369.db2.gz SNTTYCGARTZLNK-IHWYPQMZSA-N 0 0 228.307 4.434 20 0 BIADRN C/C=C/CSCc1cccc(C(F)F)c1 ZINC000479604038 527623118 /nfs/dbraw/zinc/62/31/18/527623118.db2.gz SNTTYCGARTZLNK-NSCUHMNNSA-N 0 0 228.307 4.434 20 0 BIADRN CC[C@@H](C)CC(=O)N(CC)c1cc(C)ccc1C ZINC000479627672 529305214 /nfs/dbraw/zinc/30/52/14/529305214.db2.gz SGTDPEMQURYTHD-GFCCVEGCSA-N 0 0 247.382 4.093 20 0 BIADRN CC[C@H](C)CC(=O)N(CC)c1cc(C)ccc1C ZINC000479627673 529639382 /nfs/dbraw/zinc/63/93/82/529639382.db2.gz SGTDPEMQURYTHD-LBPRGKRZSA-N 0 0 247.382 4.093 20 0 BIADRN CC[C@@H](C)CC(=O)N(CC)c1cccc(C)c1C ZINC000479628476 529305446 /nfs/dbraw/zinc/30/54/46/529305446.db2.gz JXBLDFPFDQFGAI-GFCCVEGCSA-N 0 0 247.382 4.093 20 0 BIADRN CC[C@H](C)CC(=O)N(CC)c1cccc(C)c1C ZINC000479628477 529639280 /nfs/dbraw/zinc/63/92/80/529639280.db2.gz JXBLDFPFDQFGAI-LBPRGKRZSA-N 0 0 247.382 4.093 20 0 BIADRN CCC(C)(CC)NC(=O)Nc1cc(C)cc(C)c1 ZINC000479746052 528613411 /nfs/dbraw/zinc/61/34/11/528613411.db2.gz MYEYXGXCVFMITO-UHFFFAOYSA-N 0 0 248.370 4.004 20 0 BIADRN CCc1ccc(CC)c(NC(=O)C[C@H](C)CC)c1 ZINC000479889063 529622848 /nfs/dbraw/zinc/62/28/48/529622848.db2.gz VGWSXYYXEPHURC-GFCCVEGCSA-N 0 0 247.382 4.186 20 0 BIADRN CCc1ccc(CC)c(NC(=O)C[C@@H](C)CC)c1 ZINC000479889065 529623241 /nfs/dbraw/zinc/62/32/41/529623241.db2.gz VGWSXYYXEPHURC-LBPRGKRZSA-N 0 0 247.382 4.186 20 0 BIADRN CCC[C@@H](CC)[S@@](=O)CCC(C)(C)CC ZINC000479905669 528926531 /nfs/dbraw/zinc/92/65/31/528926531.db2.gz XECSHMJXJWSLBR-DOMZBBRYSA-N 0 0 232.433 4.140 20 0 BIADRN CCC[C@@H](CC)[S@](=O)CCC(C)(C)CC ZINC000479905670 528927121 /nfs/dbraw/zinc/92/71/21/528927121.db2.gz XECSHMJXJWSLBR-IUODEOHRSA-N 0 0 232.433 4.140 20 0 BIADRN CCC[C@H](CC)[S@](=O)CCC(C)(C)CC ZINC000479905671 528112485 /nfs/dbraw/zinc/11/24/85/528112485.db2.gz XECSHMJXJWSLBR-SWLSCSKDSA-N 0 0 232.433 4.140 20 0 BIADRN CCC[C@H](CC)[S@@](=O)CCC(C)(C)CC ZINC000479905673 528111201 /nfs/dbraw/zinc/11/12/01/528111201.db2.gz XECSHMJXJWSLBR-WFASDCNBSA-N 0 0 232.433 4.140 20 0 BIADRN CCC[C@@H](CC)[S@](=O)CCCC1CCCC1 ZINC000479910802 528927188 /nfs/dbraw/zinc/92/71/88/528927188.db2.gz JRTUGDDYAORCLF-GDBMZVCRSA-N 0 0 244.444 4.284 20 0 BIADRN CCC[C@H](CC)[S@](=O)CCCC1CCCC1 ZINC000479910813 528112095 /nfs/dbraw/zinc/11/20/95/528112095.db2.gz JRTUGDDYAORCLF-GOEBONIOSA-N 0 0 244.444 4.284 20 0 BIADRN CCC[C@H](CC)[S@@](=O)CCCC1CCCC1 ZINC000479910814 528111397 /nfs/dbraw/zinc/11/13/97/528111397.db2.gz JRTUGDDYAORCLF-HOCLYGCPSA-N 0 0 244.444 4.284 20 0 BIADRN CCC[C@@H](CC)[S@@](=O)CCCC1CCCC1 ZINC000479910816 528926017 /nfs/dbraw/zinc/92/60/17/528926017.db2.gz JRTUGDDYAORCLF-ZBFHGGJFSA-N 0 0 244.444 4.284 20 0 BIADRN CC(C)N(C(=O)C1=CCCCCC1)C1CCCC1 ZINC000480006320 528767607 /nfs/dbraw/zinc/76/76/07/528767607.db2.gz NHCPRRDBRRETHF-UHFFFAOYSA-N 0 0 249.398 4.057 20 0 BIADRN c1coc(CSCCCc2ccccc2)c1 ZINC000480014500 225194715 /nfs/dbraw/zinc/19/47/15/225194715.db2.gz GZBGICBZBSISFB-UHFFFAOYSA-N 0 0 232.348 4.146 20 0 BIADRN CCC(CC)C(=O)Nc1ccc2occ(C)c2c1 ZINC000480070015 528726822 /nfs/dbraw/zinc/72/68/22/528726822.db2.gz GWHFXWPZYQHBNW-UHFFFAOYSA-N 0 0 245.322 4.116 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000480165036 225197732 /nfs/dbraw/zinc/19/77/32/225197732.db2.gz DKZXPGIPTUSPAP-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000480165037 534748682 /nfs/dbraw/zinc/74/86/82/534748682.db2.gz DKZXPGIPTUSPAP-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccccc1N[C@H](C)c1ccc(Cl)cn1 ZINC000480167653 534824731 /nfs/dbraw/zinc/82/47/31/534824731.db2.gz JQBJZLBDJINCLW-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccccc1N[C@@H](C)c1ccc(Cl)cn1 ZINC000480167654 534825607 /nfs/dbraw/zinc/82/56/07/534825607.db2.gz JQBJZLBDJINCLW-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000480172191 225197298 /nfs/dbraw/zinc/19/72/98/225197298.db2.gz MPSRCEPYKJTQSM-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000480172193 225197726 /nfs/dbraw/zinc/19/77/26/225197726.db2.gz MPSRCEPYKJTQSM-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN CC[C@@H](C)SCCCc1ccccc1 ZINC000480205984 529387663 /nfs/dbraw/zinc/38/76/63/529387663.db2.gz YRKZLTWOQCGRFS-GFCCVEGCSA-N 0 0 208.370 4.151 20 0 BIADRN CC[C@H](C)SCCCc1ccccc1 ZINC000480205985 529197363 /nfs/dbraw/zinc/19/73/63/529197363.db2.gz YRKZLTWOQCGRFS-LBPRGKRZSA-N 0 0 208.370 4.151 20 0 BIADRN Fc1ccc(CSC2CCCC2)cc1F ZINC000480233765 534472390 /nfs/dbraw/zinc/47/23/90/534472390.db2.gz IAVSVBRQPDSIEQ-UHFFFAOYSA-N 0 0 228.307 4.141 20 0 BIADRN c1cnc2c(c1)cccc2CSC1CCCC1 ZINC000480265665 225197953 /nfs/dbraw/zinc/19/79/53/225197953.db2.gz NHDACNAANREGBG-UHFFFAOYSA-N 0 0 243.375 4.411 20 0 BIADRN c1ccc2nc(CSC3CCCC3)ccc2c1 ZINC000480266281 225197704 /nfs/dbraw/zinc/19/77/04/225197704.db2.gz OKAOEMDZPDOQNA-UHFFFAOYSA-N 0 0 243.375 4.411 20 0 BIADRN Fc1cccc(CSC2CCCC2)c1F ZINC000480267389 534519922 /nfs/dbraw/zinc/51/99/22/534519922.db2.gz QTBZRMZRFFIWIK-UHFFFAOYSA-N 0 0 228.307 4.141 20 0 BIADRN C/C=C(/C=C\c1nc(-c2cccs2)no1)CC ZINC000480329456 527564113 /nfs/dbraw/zinc/56/41/13/527564113.db2.gz CXNLRXLWVLUBCT-REHGSKIZSA-N 0 0 246.335 4.168 20 0 BIADRN C/C=C(/C=C/c1nc(-c2cccs2)no1)CC ZINC000480329463 527556424 /nfs/dbraw/zinc/55/64/24/527556424.db2.gz CXNLRXLWVLUBCT-XWDWXOABSA-N 0 0 246.335 4.168 20 0 BIADRN C/C=C(/C=C\c1nc(-c2ccccc2)no1)CC ZINC000480332880 538850303 /nfs/dbraw/zinc/85/03/03/538850303.db2.gz IHDWRZGLGGPBSR-ILIPMWHGSA-N 0 0 240.306 4.106 20 0 BIADRN C/C=C(/C=C/c1nc(-c2ccccc2)no1)CC ZINC000480332882 538849148 /nfs/dbraw/zinc/84/91/48/538849148.db2.gz IHDWRZGLGGPBSR-ZLRCPBPQSA-N 0 0 240.306 4.106 20 0 BIADRN CCOCCCS[C@H](C)c1ccccc1C ZINC000480358834 528696072 /nfs/dbraw/zinc/69/60/72/528696072.db2.gz HCFRLFSGAIWEMY-CYBMUJFWSA-N 0 0 238.396 4.216 20 0 BIADRN CCOCCCS[C@@H](C)c1ccccc1C ZINC000480358838 528696600 /nfs/dbraw/zinc/69/66/00/528696600.db2.gz HCFRLFSGAIWEMY-ZDUSSCGKSA-N 0 0 238.396 4.216 20 0 BIADRN C/C=C(/C=C\c1nc(C2CCCC2)no1)CC ZINC000480358961 527564034 /nfs/dbraw/zinc/56/40/34/527564034.db2.gz RTABIBKBCYMQIN-MSRQTSMUSA-N 0 0 232.327 4.097 20 0 BIADRN C/C=C(/C=C/c1nc(C2CCCC2)no1)CC ZINC000480358964 527556693 /nfs/dbraw/zinc/55/66/93/527556693.db2.gz RTABIBKBCYMQIN-VVVHQUFHSA-N 0 0 232.327 4.097 20 0 BIADRN CC(C)Oc1cccc(CSCCCF)c1 ZINC000480361449 528226161 /nfs/dbraw/zinc/22/61/61/528226161.db2.gz GUABSVYRLMVYIV-UHFFFAOYSA-N 0 0 242.359 4.067 20 0 BIADRN C/C=C(/C=C\c1nc(-c2ccsc2)no1)CC ZINC000480362816 527564213 /nfs/dbraw/zinc/56/42/13/527564213.db2.gz YZPUMMSPWLWQET-VMTDUWPYSA-N 0 0 246.335 4.168 20 0 BIADRN C/C=C(/C=C/c1nc(-c2ccsc2)no1)CC ZINC000480362817 527556680 /nfs/dbraw/zinc/55/66/80/527556680.db2.gz YZPUMMSPWLWQET-YXGJEIQZSA-N 0 0 246.335 4.168 20 0 BIADRN Cc1ccccc1[C@@H](C)SCCOC(C)C ZINC000480371666 225198800 /nfs/dbraw/zinc/19/88/00/225198800.db2.gz UNSBQDHZMUZJBF-CYBMUJFWSA-N 0 0 238.396 4.214 20 0 BIADRN Cc1ccccc1[C@H](C)SCCOC(C)C ZINC000480371667 225199239 /nfs/dbraw/zinc/19/92/39/225199239.db2.gz UNSBQDHZMUZJBF-ZDUSSCGKSA-N 0 0 238.396 4.214 20 0 BIADRN CC[C@@H](SCCCF)c1ccccc1 ZINC000480377488 529253182 /nfs/dbraw/zinc/25/31/82/529253182.db2.gz PAQHMKCFPSWSLI-GFCCVEGCSA-N 0 0 212.333 4.231 20 0 BIADRN CC[C@H](SCCCF)c1ccccc1 ZINC000480377489 529175800 /nfs/dbraw/zinc/17/58/00/529175800.db2.gz PAQHMKCFPSWSLI-LBPRGKRZSA-N 0 0 212.333 4.231 20 0 BIADRN COC[C@@H](C)S[C@H](C)c1cccc(Cl)c1 ZINC000480379271 225198914 /nfs/dbraw/zinc/19/89/14/225198914.db2.gz VFVQUGVCHFAVDH-NXEZZACHSA-N 0 0 244.787 4.169 20 0 BIADRN COC[C@H](C)S[C@@H](C)c1cccc(Cl)c1 ZINC000480379272 533001215 /nfs/dbraw/zinc/00/12/15/533001215.db2.gz VFVQUGVCHFAVDH-UWVGGRQHSA-N 0 0 244.787 4.169 20 0 BIADRN COC[C@H](C)S[C@H](C)c1cccc(Cl)c1 ZINC000480379273 533000669 /nfs/dbraw/zinc/00/06/69/533000669.db2.gz VFVQUGVCHFAVDH-VHSXEESVSA-N 0 0 244.787 4.169 20 0 BIADRN COC[C@@H](C)S[C@@H](C)c1cccc(Cl)c1 ZINC000480379274 225199280 /nfs/dbraw/zinc/19/92/80/225199280.db2.gz VFVQUGVCHFAVDH-ZJUUUORDSA-N 0 0 244.787 4.169 20 0 BIADRN C[C@@H](SCCCF)c1ccccc1Cl ZINC000480380859 533990606 /nfs/dbraw/zinc/99/06/06/533990606.db2.gz GBGMBXYFIHGEHZ-SECBINFHSA-N 0 0 232.751 4.494 20 0 BIADRN C[C@H](SCCCF)c1ccccc1Cl ZINC000480380860 225198662 /nfs/dbraw/zinc/19/86/62/225198662.db2.gz GBGMBXYFIHGEHZ-VIFPVBQESA-N 0 0 232.751 4.494 20 0 BIADRN Cc1ccccc1[C@@H](C)SCCCF ZINC000480383104 225198734 /nfs/dbraw/zinc/19/87/34/225198734.db2.gz AXWJTLHTILHGJE-LLVKDONJSA-N 0 0 212.333 4.149 20 0 BIADRN Cc1ccccc1[C@H](C)SCCCF ZINC000480383105 225199521 /nfs/dbraw/zinc/19/95/21/225199521.db2.gz AXWJTLHTILHGJE-NSHDSACASA-N 0 0 212.333 4.149 20 0 BIADRN CC[C@@H](SCCCF)c1ccc(F)cc1 ZINC000480384528 529253129 /nfs/dbraw/zinc/25/31/29/529253129.db2.gz DYXUGNBEVVENNJ-GFCCVEGCSA-N 0 0 230.323 4.370 20 0 BIADRN CC[C@H](SCCCF)c1ccc(F)cc1 ZINC000480384536 529175545 /nfs/dbraw/zinc/17/55/45/529175545.db2.gz DYXUGNBEVVENNJ-LBPRGKRZSA-N 0 0 230.323 4.370 20 0 BIADRN COCC[C@@H](C)S[C@H](C)c1ccccc1C ZINC000480386090 225198859 /nfs/dbraw/zinc/19/88/59/225198859.db2.gz JJYFCDYNMPSHOT-CHWSQXEVSA-N 0 0 238.396 4.214 20 0 BIADRN COCC[C@@H](C)S[C@@H](C)c1ccccc1C ZINC000480386091 225199123 /nfs/dbraw/zinc/19/91/23/225199123.db2.gz JJYFCDYNMPSHOT-OLZOCXBDSA-N 0 0 238.396 4.214 20 0 BIADRN COCC[C@H](C)S[C@H](C)c1ccccc1C ZINC000480386092 225199113 /nfs/dbraw/zinc/19/91/13/225199113.db2.gz JJYFCDYNMPSHOT-QWHCGFSZSA-N 0 0 238.396 4.214 20 0 BIADRN COCC[C@H](C)S[C@@H](C)c1ccccc1C ZINC000480386093 225198457 /nfs/dbraw/zinc/19/84/57/225198457.db2.gz JJYFCDYNMPSHOT-STQMWFEESA-N 0 0 238.396 4.214 20 0 BIADRN Cc1cc(CSCCCC2CCCC2)no1 ZINC000480386878 533747779 /nfs/dbraw/zinc/74/77/79/533747779.db2.gz UHUAELGLWISWNZ-UHFFFAOYSA-N 0 0 239.384 4.187 20 0 BIADRN C[C@@H](SCCCF)c1cccc(Cl)c1 ZINC000480388625 533990732 /nfs/dbraw/zinc/99/07/32/533990732.db2.gz YLNBHMSJOVNQRS-SECBINFHSA-N 0 0 232.751 4.494 20 0 BIADRN C[C@H](SCCCF)c1cccc(Cl)c1 ZINC000480388626 225199344 /nfs/dbraw/zinc/19/93/44/225199344.db2.gz 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/nfs/dbraw/zinc/87/98/81/528879881.db2.gz QAPJOKPXJZHYMI-NEPJUHHUSA-N 0 0 237.391 4.011 20 0 BIADRN CCC[C@H](C)CNc1cnn([C@H](C)CC)c1C ZINC000480456440 528035364 /nfs/dbraw/zinc/03/53/64/528035364.db2.gz QAPJOKPXJZHYMI-NWDGAFQWSA-N 0 0 237.391 4.011 20 0 BIADRN CCC[C@H](C)CNc1cnn([C@@H](C)CC)c1C ZINC000480456441 528033591 /nfs/dbraw/zinc/03/35/91/528033591.db2.gz QAPJOKPXJZHYMI-RYUDHWBXSA-N 0 0 237.391 4.011 20 0 BIADRN CCC[C@@H](C)CNc1cnn([C@H](C)CC)c1C ZINC000480456442 528879845 /nfs/dbraw/zinc/87/98/45/528879845.db2.gz QAPJOKPXJZHYMI-VXGBXAGGSA-N 0 0 237.391 4.011 20 0 BIADRN C[C@H](c1ccccc1Cl)[N@H+](C)CCC1CC1 ZINC000480525685 225202150 /nfs/dbraw/zinc/20/21/50/225202150.db2.gz JKJUPVGVWTVFHN-LLVKDONJSA-N 0 0 237.774 4.133 20 0 BIADRN C[C@@H](c1ccccc1Cl)[N@H+](C)CCC1CC1 ZINC000480525686 225202018 /nfs/dbraw/zinc/20/20/18/225202018.db2.gz JKJUPVGVWTVFHN-NSHDSACASA-N 0 0 237.774 4.133 20 0 BIADRN FC(F)(F)CCSc1ccc2c(c1)CCC2 ZINC000480571823 534384962 /nfs/dbraw/zinc/38/49/62/534384962.db2.gz OCNHXLXSFFWLNE-UHFFFAOYSA-N 0 0 246.297 4.220 20 0 BIADRN CC[C@H](C)CC(=O)Nc1csc2ccccc12 ZINC000480582253 529642907 /nfs/dbraw/zinc/64/29/07/529642907.db2.gz PLGGMNRHFOPEKV-JTQLQIEISA-N 0 0 247.363 4.276 20 0 BIADRN CC[C@@H](C)CC(=O)Nc1csc2ccccc12 ZINC000480582259 529308411 /nfs/dbraw/zinc/30/84/11/529308411.db2.gz PLGGMNRHFOPEKV-SNVBAGLBSA-N 0 0 247.363 4.276 20 0 BIADRN CC(C)(C)CCCC(=O)NC(C)(C)C(C)(C)C ZINC000480594039 527655712 /nfs/dbraw/zinc/65/57/12/527655712.db2.gz GABIDWJQTYCIEF-UHFFFAOYSA-N 0 0 241.419 4.144 20 0 BIADRN CCCC[C@@H](CC)C(=O)NC(C)(C)C(C)(C)C ZINC000480597277 528768037 /nfs/dbraw/zinc/76/80/37/528768037.db2.gz UVRRVSABYYRUSC-GFCCVEGCSA-N 0 0 241.419 4.144 20 0 BIADRN CCCC[C@H](CC)C(=O)NC(C)(C)C(C)(C)C ZINC000480597278 528899609 /nfs/dbraw/zinc/89/96/09/528899609.db2.gz UVRRVSABYYRUSC-LBPRGKRZSA-N 0 0 241.419 4.144 20 0 BIADRN CCCC(C)(C)CC(=O)NC(C)(C)C(C)(C)C ZINC000480717382 527977304 /nfs/dbraw/zinc/97/73/04/527977304.db2.gz NEWGFLFHFARSNM-UHFFFAOYSA-N 0 0 241.419 4.144 20 0 BIADRN CCC[C@@H](CC)Sc1nc(C2CC2)ns1 ZINC000480843149 528926600 /nfs/dbraw/zinc/92/66/00/528926600.db2.gz HLCYCUIOWDWIHE-SECBINFHSA-N 0 0 242.413 4.086 20 0 BIADRN CCC[C@H](CC)Sc1nc(C2CC2)ns1 ZINC000480843157 528110603 /nfs/dbraw/zinc/11/06/03/528110603.db2.gz HLCYCUIOWDWIHE-VIFPVBQESA-N 0 0 242.413 4.086 20 0 BIADRN CCC[C@@H](C)C(=O)N(CC(C)C)C(CC)CC ZINC000481225587 528850236 /nfs/dbraw/zinc/85/02/36/528850236.db2.gz AQBFPMGXWFOSRF-CYBMUJFWSA-N 0 0 241.419 4.096 20 0 BIADRN CCC[C@H](C)C(=O)N(CC(C)C)C(CC)CC ZINC000481225588 527993227 /nfs/dbraw/zinc/99/32/27/527993227.db2.gz AQBFPMGXWFOSRF-ZDUSSCGKSA-N 0 0 241.419 4.096 20 0 BIADRN CCC(CC)N(CC(C)C)C(=O)CC(C)(C)C ZINC000481233320 528769341 /nfs/dbraw/zinc/76/93/41/528769341.db2.gz PCUPLSKZPYTJHD-UHFFFAOYSA-N 0 0 241.419 4.096 20 0 BIADRN CCC[C@@H](C)Sc1nc2ccccc2o1 ZINC000481244703 528900862 /nfs/dbraw/zinc/90/08/62/528900862.db2.gz CPDONOFNBYUYHE-SECBINFHSA-N 0 0 221.325 4.109 20 0 BIADRN CCC[C@H](C)Sc1nc2ccccc2o1 ZINC000481244704 528068646 /nfs/dbraw/zinc/06/86/46/528068646.db2.gz CPDONOFNBYUYHE-VIFPVBQESA-N 0 0 221.325 4.109 20 0 BIADRN Fc1ccc2c(c1)[C@@H](SCc1ccco1)CC2 ZINC000481247118 534503588 /nfs/dbraw/zinc/50/35/88/534503588.db2.gz TYJQHSNMQNWESH-AWEZNQCLSA-N 0 0 248.322 4.339 20 0 BIADRN Fc1ccc2c(c1)[C@H](SCc1ccco1)CC2 ZINC000481247119 534505418 /nfs/dbraw/zinc/50/54/18/534505418.db2.gz TYJQHSNMQNWESH-CQSZACIVSA-N 0 0 248.322 4.339 20 0 BIADRN CCN(C(=O)C1=CCCCCC1)C1CCCCC1 ZINC000481307249 528933033 /nfs/dbraw/zinc/93/30/33/528933033.db2.gz KQUMUAODULAQON-UHFFFAOYSA-N 0 0 249.398 4.058 20 0 BIADRN CN(C(=O)C1=CCCCCC1)C1CCCCCC1 ZINC000481326253 225213338 /nfs/dbraw/zinc/21/33/38/225213338.db2.gz ZGDMPZAPFFNVAI-UHFFFAOYSA-N 0 0 249.398 4.058 20 0 BIADRN COc1cccc(SCCc2ccccc2)c1 ZINC000481485213 533692797 /nfs/dbraw/zinc/69/27/97/533692797.db2.gz LMTYCWNIXILVAL-UHFFFAOYSA-N 0 0 244.359 4.030 20 0 BIADRN C[C@@H](SCC(=O)C(C)(C)C)c1ccccc1 ZINC000481736374 533983585 /nfs/dbraw/zinc/98/35/85/533983585.db2.gz NTTPKPNGCPXTMQ-LLVKDONJSA-N 0 0 236.380 4.096 20 0 BIADRN C[C@H](SCC(=O)C(C)(C)C)c1ccccc1 ZINC000481736375 225218390 /nfs/dbraw/zinc/21/83/90/225218390.db2.gz NTTPKPNGCPXTMQ-NSHDSACASA-N 0 0 236.380 4.096 20 0 BIADRN COc1cccc([C@@H](C)SCc2ccco2)c1 ZINC000481744114 533712323 /nfs/dbraw/zinc/71/23/23/533712323.db2.gz YZBCXXVVXCSCSA-LLVKDONJSA-N 0 0 248.347 4.283 20 0 BIADRN COc1cccc([C@H](C)SCc2ccco2)c1 ZINC000481744145 533776499 /nfs/dbraw/zinc/77/64/99/533776499.db2.gz YZBCXXVVXCSCSA-NSHDSACASA-N 0 0 248.347 4.283 20 0 BIADRN CSCCCSC[C@@H](C)c1ccccc1 ZINC000481985508 225220280 /nfs/dbraw/zinc/22/02/80/225220280.db2.gz PYEMWVBJJFREIY-GFCCVEGCSA-N 0 0 240.437 4.276 20 0 BIADRN CSCCCSC[C@H](C)c1ccccc1 ZINC000481985509 225219884 /nfs/dbraw/zinc/21/98/84/225219884.db2.gz PYEMWVBJJFREIY-LBPRGKRZSA-N 0 0 240.437 4.276 20 0 BIADRN CCC[C@H](C(=O)Nc1ccccc1CC)C(C)C ZINC000482016779 527990033 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TULIJJJVMBFZLG-CQSZACIVSA-N 0 0 247.407 4.180 20 0 BIADRN CCCC[C@H](CCC)NC(=O)CC1CCCC1 ZINC000482611137 528921528 /nfs/dbraw/zinc/92/15/28/528921528.db2.gz UQHUAPLTJVQQIN-AWEZNQCLSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@@H](CCC)NC(=O)CC1CCCC1 ZINC000482611138 528789389 /nfs/dbraw/zinc/78/93/89/528789389.db2.gz UQHUAPLTJVQQIN-CQSZACIVSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@H](CCC)NC(=O)C1CCCCC1 ZINC000482624712 528921654 /nfs/dbraw/zinc/92/16/54/528921654.db2.gz BEXCPSPTQMBVSC-AWEZNQCLSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@@H](CCC)NC(=O)C1CCCCC1 ZINC000482624713 528789748 /nfs/dbraw/zinc/78/97/48/528789748.db2.gz BEXCPSPTQMBVSC-CQSZACIVSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@@H](CCC)NC(=O)C1(C)CCCC1 ZINC000482820022 528789909 /nfs/dbraw/zinc/78/99/09/528789909.db2.gz IXRJXVINVKFUBO-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCC[C@H](CCC)NC(=O)C1(C)CCCC1 ZINC000482820023 528921747 /nfs/dbraw/zinc/92/17/47/528921747.db2.gz IXRJXVINVKFUBO-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCC[C@](C)(CC)C(=O)Nc1ccccc1CC ZINC000483068960 528452639 /nfs/dbraw/zinc/45/26/39/528452639.db2.gz CUSICPRJYXOGPQ-INIZCTEOSA-N 0 0 247.382 4.404 20 0 BIADRN CCC[C@@](C)(CC)C(=O)Nc1ccccc1CC ZINC000483068962 527884456 /nfs/dbraw/zinc/88/44/56/527884456.db2.gz CUSICPRJYXOGPQ-MRXNPFEDSA-N 0 0 247.382 4.404 20 0 BIADRN CN(Cc1ccsc1Cl)c1ccccc1 ZINC000483141699 530013974 /nfs/dbraw/zinc/01/39/74/530013974.db2.gz SUSGGHDXKFWAQR-UHFFFAOYSA-N 0 0 237.755 4.038 20 0 BIADRN CC[C@@H](C)n1ncc(NCCC(C)(C)C)c1C ZINC000483430370 529443725 /nfs/dbraw/zinc/44/37/25/529443725.db2.gz JFYHXPHWLDMHGA-LLVKDONJSA-N 0 0 237.391 4.011 20 0 BIADRN CC[C@H](C)n1ncc(NCCC(C)(C)C)c1C ZINC000483430371 529294069 /nfs/dbraw/zinc/29/40/69/529294069.db2.gz JFYHXPHWLDMHGA-NSHDSACASA-N 0 0 237.391 4.011 20 0 BIADRN CCCC[C@H](CC)C(=O)N[C@@H](C)CCC(C)C ZINC000483749420 528901182 /nfs/dbraw/zinc/90/11/82/528901182.db2.gz WMDLPLKLGNVWAT-KBPBESRZSA-N 0 0 241.419 4.144 20 0 BIADRN CCCC[C@H](CC)C(=O)N[C@H](C)CCC(C)C ZINC000483749421 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CCC[C@@H](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000497157558 385724465 /nfs/dbraw/zinc/72/44/65/385724465.db2.gz NLWHIRGNAUZYTB-ZIAGYGMSSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000497386340 528102062 /nfs/dbraw/zinc/10/20/62/528102062.db2.gz OSNDLNLHDCRIOW-AWEZNQCLSA-N 0 0 247.382 4.095 20 0 BIADRN CCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000497393136 385038445 /nfs/dbraw/zinc/03/84/45/385038445.db2.gz UMWQVSBWIZCUDY-AWEZNQCLSA-N 0 0 247.382 4.013 20 0 BIADRN CCCCC(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000497393138 385038259 /nfs/dbraw/zinc/03/82/59/385038259.db2.gz UMWQVSBWIZCUDY-CQSZACIVSA-N 0 0 247.382 4.013 20 0 BIADRN C/C=C\c1ccc(NC(=O)NC(C)(C)CC)cc1 ZINC000497397344 385047657 /nfs/dbraw/zinc/04/76/57/385047657.db2.gz ONAKGCKWMLUEQR-ALCCZGGFSA-N 0 0 246.354 4.030 20 0 BIADRN C/C=C/c1ccc(NC(=O)NC(C)(C)CC)cc1 ZINC000497397345 385047991 /nfs/dbraw/zinc/04/79/91/385047991.db2.gz ONAKGCKWMLUEQR-FNORWQNLSA-N 0 0 246.354 4.030 20 0 BIADRN C/C=C\c1ccc(NC(=O)NCCCCC)cc1 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529043537 /nfs/dbraw/zinc/04/35/37/529043537.db2.gz MIRDTMSBZZFRIX-UHFFFAOYSA-N 0 0 229.414 4.129 20 0 BIADRN CCCCN(CCCC)C(=O)C[C@@H](C)CCC ZINC000498206601 388270205 /nfs/dbraw/zinc/27/02/05/388270205.db2.gz JNWZPFDZTLDLJR-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCN(CCCC)C(=O)C[C@H](C)CCC ZINC000498206602 388270371 /nfs/dbraw/zinc/27/03/71/388270371.db2.gz JNWZPFDZTLDLJR-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCC[C@@H](C)CC(=O)N(CC)CC(CC)CC ZINC000498343623 528871416 /nfs/dbraw/zinc/87/14/16/528871416.db2.gz LTHNCGDNQPRTRY-CYBMUJFWSA-N 0 0 241.419 4.097 20 0 BIADRN CCC[C@H](C)CC(=O)N(CC)CC(CC)CC ZINC000498343634 528021735 /nfs/dbraw/zinc/02/17/35/528021735.db2.gz LTHNCGDNQPRTRY-ZDUSSCGKSA-N 0 0 241.419 4.097 20 0 BIADRN C[C@@H]1OCC[C@@H]1[C@@H]1C[C@H]2CCCc3cccc1c32 ZINC000498393502 534182144 /nfs/dbraw/zinc/18/21/44/534182144.db2.gz CNYIFOADYVHDHT-AEIGPULVSA-N 0 0 242.362 4.019 20 0 BIADRN C[C@@H]1OCC[C@@H]1[C@H]1C[C@@H]2CCCc3cccc1c32 ZINC000498393503 534184146 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BIADRN Cc1ccc2oc(Oc3ccccc3C)nc2c1 ZINC000513621734 388435411 /nfs/dbraw/zinc/43/54/11/388435411.db2.gz YMYAYZLZSBKIHP-UHFFFAOYSA-N 0 0 239.274 4.237 20 0 BIADRN Cc1ccc2oc(Sc3cccs3)nc2c1 ZINC000513645215 388436758 /nfs/dbraw/zinc/43/67/58/388436758.db2.gz JCHGYERCKYARMD-UHFFFAOYSA-N 0 0 247.344 4.349 20 0 BIADRN CCC(CC)Sc1nc2cc(C)ccc2o1 ZINC000513650679 388438066 /nfs/dbraw/zinc/43/80/66/388438066.db2.gz QBJFICXHEROPTC-UHFFFAOYSA-N 0 0 235.352 4.417 20 0 BIADRN Cc1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1C ZINC000513735231 229437981 /nfs/dbraw/zinc/43/79/81/229437981.db2.gz LBYYPSSHWRDTOQ-CYBMUJFWSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1C ZINC000513735232 388444776 /nfs/dbraw/zinc/44/47/76/388444776.db2.gz LBYYPSSHWRDTOQ-ZDUSSCGKSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000513744363 229440969 /nfs/dbraw/zinc/44/09/69/229440969.db2.gz JVOZHKHQBWPKJZ-CYBMUJFWSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(C)c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000513744364 533683938 /nfs/dbraw/zinc/68/39/38/533683938.db2.gz JVOZHKHQBWPKJZ-ZDUSSCGKSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)c(C)c1 ZINC000513749312 388447096 /nfs/dbraw/zinc/44/70/96/388447096.db2.gz QFOZYKCPZQOQTF-CYBMUJFWSA-N 0 0 245.366 4.068 20 0 BIADRN Cc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)c(C)c1 ZINC000513749313 388447062 /nfs/dbraw/zinc/44/70/62/388447062.db2.gz QFOZYKCPZQOQTF-ZDUSSCGKSA-N 0 0 245.366 4.068 20 0 BIADRN COCCCCCOc1cccc(C(C)C)c1 ZINC000513826814 388452229 /nfs/dbraw/zinc/45/22/29/388452229.db2.gz CHEXWPOQKKUDNM-UHFFFAOYSA-N 0 0 236.355 4.006 20 0 BIADRN COCCCCCOc1ccc2ccccc2c1 ZINC000513827078 388452391 /nfs/dbraw/zinc/45/23/91/388452391.db2.gz IJNKJPBSOBUTSG-UHFFFAOYSA-N 0 0 244.334 4.035 20 0 BIADRN Clc1ccc(-c2nc3cnccc3s2)cc1 ZINC000513859571 388455372 /nfs/dbraw/zinc/45/53/72/388455372.db2.gz NGHOMNUWPIEICH-UHFFFAOYSA-N 0 0 246.722 4.012 20 0 BIADRN Clc1cccc(-c2nc3cnccc3s2)c1 ZINC000513859780 388455376 /nfs/dbraw/zinc/45/53/76/388455376.db2.gz PTWQMFABNAAHPE-UHFFFAOYSA-N 0 0 246.722 4.012 20 0 BIADRN Fc1ccc2sc(-c3cccc(F)c3)nc2c1 ZINC000513868115 534512383 /nfs/dbraw/zinc/51/23/83/534512383.db2.gz QREHLEAUQBAZMK-UHFFFAOYSA-N 0 0 247.269 4.242 20 0 BIADRN Fc1ccc2sc(-c3ccccc3F)nc2c1 ZINC000513868324 388455835 /nfs/dbraw/zinc/45/58/35/388455835.db2.gz UTZXUGINMPCHPX-UHFFFAOYSA-N 0 0 247.269 4.242 20 0 BIADRN Fc1ccc(-c2nc3cc(F)ccc3s2)cc1 ZINC000513869088 398086960 /nfs/dbraw/zinc/08/69/60/398086960.db2.gz GMUBZOIUXIXIRE-UHFFFAOYSA-N 0 0 247.269 4.242 20 0 BIADRN Cc1cccc(-c2nc3cc(F)ccc3s2)c1 ZINC000513869317 398086991 /nfs/dbraw/zinc/08/69/91/398086991.db2.gz JDMIEMNMHCWSBO-UHFFFAOYSA-N 0 0 243.306 4.411 20 0 BIADRN Fc1ccc2sc(-c3ccsc3)nc2c1 ZINC000513869339 398086983 /nfs/dbraw/zinc/08/69/83/398086983.db2.gz JLDMCXLOQNJJKH-UHFFFAOYSA-N 0 0 235.308 4.164 20 0 BIADRN CSCCCc1cccc2ccccc21 ZINC000513936793 388473660 /nfs/dbraw/zinc/47/36/60/388473660.db2.gz YMIXPTLAASAUCV-UHFFFAOYSA-N 0 0 216.349 4.135 20 0 BIADRN Clc1ccc(CSCc2ccco2)s1 ZINC000514005056 388484756 /nfs/dbraw/zinc/48/47/56/388484756.db2.gz AIEDYUQTMGGNIR-UHFFFAOYSA-N 0 0 244.768 4.428 20 0 BIADRN CCCCCN(CC(F)(F)F)[C@H](C)CCC ZINC000514008260 388483799 /nfs/dbraw/zinc/48/37/99/388483799.db2.gz FJNPEIARCXCJFY-LLVKDONJSA-N 0 0 239.325 4.230 20 0 BIADRN CCCCCN(CC(F)(F)F)[C@@H](C)CCC ZINC000514008261 388484035 /nfs/dbraw/zinc/48/40/35/388484035.db2.gz FJNPEIARCXCJFY-NSHDSACASA-N 0 0 239.325 4.230 20 0 BIADRN CCCCSCCCOc1ccc(F)cc1 ZINC000514029590 528736115 /nfs/dbraw/zinc/73/61/15/528736115.db2.gz TVXYGCOQULJFJC-UHFFFAOYSA-N 0 0 242.359 4.128 20 0 BIADRN COc1ccc(CSc2ccccc2)cc1F ZINC000514053488 385104883 /nfs/dbraw/zinc/10/48/83/385104883.db2.gz VKHRFJNZWSZHOM-UHFFFAOYSA-N 0 0 248.322 4.127 20 0 BIADRN CCc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000514136008 256679929 /nfs/dbraw/zinc/67/99/29/256679929.db2.gz JQFQSFIBTKNTLJ-CYBMUJFWSA-N 0 0 245.366 4.014 20 0 BIADRN CCc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000514136009 256680058 /nfs/dbraw/zinc/68/00/58/256680058.db2.gz JQFQSFIBTKNTLJ-ZDUSSCGKSA-N 0 0 245.366 4.014 20 0 BIADRN CCCC[C@H](CC)CSc1nnc(C)s1 ZINC000514434492 259368277 /nfs/dbraw/zinc/36/82/77/259368277.db2.gz MPROPBWAVDZTAS-JTQLQIEISA-N 0 0 244.429 4.155 20 0 BIADRN CCCC[C@@H](CC)CSc1nnc(C)s1 ZINC000514434493 259368371 /nfs/dbraw/zinc/36/83/71/259368371.db2.gz MPROPBWAVDZTAS-SNVBAGLBSA-N 0 0 244.429 4.155 20 0 BIADRN Fc1ccc(OCC2CCCC2)c(Cl)c1 ZINC000514435209 259368345 /nfs/dbraw/zinc/36/83/45/259368345.db2.gz OKTZCUCFPPTCTP-UHFFFAOYSA-N 0 0 228.694 4.048 20 0 BIADRN Cc1ccc(CSc2nccn2C(C)C)cc1 ZINC000514487021 346953902 /nfs/dbraw/zinc/95/39/02/346953902.db2.gz HLEQAUOEPSNIPB-UHFFFAOYSA-N 0 0 246.379 4.065 20 0 BIADRN Fc1ccccc1SCC1CCCC1 ZINC000514549069 256680160 /nfs/dbraw/zinc/68/01/60/256680160.db2.gz WDHYELUHPXSZAG-UHFFFAOYSA-N 0 0 210.317 4.108 20 0 BIADRN CC(C)CCC(=O)N(C)c1ccccc1C(C)C ZINC000514630831 398326577 /nfs/dbraw/zinc/32/65/77/398326577.db2.gz DAPWPYZVMWGFOP-UHFFFAOYSA-N 0 0 247.382 4.209 20 0 BIADRN Cc1cccc(NC(=O)CC2(C)CCCC2)c1C ZINC000514687260 387948983 /nfs/dbraw/zinc/94/89/83/387948983.db2.gz SVZPLIRNQCDNAJ-UHFFFAOYSA-N 0 0 245.366 4.212 20 0 BIADRN c1ccc(CCSC2CCCCC2)cc1 ZINC000514708901 387275277 /nfs/dbraw/zinc/27/52/77/387275277.db2.gz YCQWJMKRCRREGE-UHFFFAOYSA-N 0 0 220.381 4.295 20 0 BIADRN Cc1cscc1-c1noc(C2CC(C)(C)C2)n1 ZINC000514968226 387316089 /nfs/dbraw/zinc/31/60/89/387316089.db2.gz VIXACXWIEZJWLL-UHFFFAOYSA-N 0 0 248.351 4.010 20 0 BIADRN CCCCOc1ccc(Cl)cc1C(=O)CC ZINC000514981682 387322960 /nfs/dbraw/zinc/32/29/60/387322960.db2.gz FSJCCWSYJWRLHP-UHFFFAOYSA-N 0 0 240.730 4.112 20 0 BIADRN Cc1cccc(OCCSC2CCCC2)c1 ZINC000514993870 387320746 /nfs/dbraw/zinc/32/07/46/387320746.db2.gz BTJGCOVFNBEFNH-UHFFFAOYSA-N 0 0 236.380 4.050 20 0 BIADRN Fc1ccccc1CSC1CCCC1 ZINC000514993968 387321068 /nfs/dbraw/zinc/32/10/68/387321068.db2.gz QRCSDEUAXSAENC-UHFFFAOYSA-N 0 0 210.317 4.002 20 0 BIADRN Clc1ccc(SC[C@H]2CCCCO2)cc1 ZINC000515184196 387341904 /nfs/dbraw/zinc/34/19/04/387341904.db2.gz AJKGKYDEYBZCGD-LLVKDONJSA-N 0 0 242.771 4.001 20 0 BIADRN Clc1ccc(SC[C@@H]2CCCCO2)cc1 ZINC000515184197 387341733 /nfs/dbraw/zinc/34/17/33/387341733.db2.gz AJKGKYDEYBZCGD-NSHDSACASA-N 0 0 242.771 4.001 20 0 BIADRN CCCCCOc1ccc(F)cc1Cl ZINC000515288215 387357208 /nfs/dbraw/zinc/35/72/08/387357208.db2.gz KOVJIRYIWNHCGD-UHFFFAOYSA-N 0 0 216.683 4.048 20 0 BIADRN C(CSCC1CCCC1)CC1CCOCC1 ZINC000515288746 387357529 /nfs/dbraw/zinc/35/75/29/387357529.db2.gz JFYOEKRFYBVPKA-UHFFFAOYSA-N 0 0 242.428 4.117 20 0 BIADRN Cc1ccc(SCc2ccc(Cl)cc2)nc1 ZINC000515289246 387357022 /nfs/dbraw/zinc/35/70/22/387357022.db2.gz SMKDKVOUZVKVGQ-UHFFFAOYSA-N 0 0 249.766 4.336 20 0 BIADRN FCCCCCSc1ccc(F)cc1F ZINC000515317183 256740715 /nfs/dbraw/zinc/74/07/15/256740715.db2.gz OUKSANFOBVEGGT-UHFFFAOYSA-N 0 0 234.286 4.197 20 0 BIADRN C/C=C\c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000515324704 387363091 /nfs/dbraw/zinc/36/30/91/387363091.db2.gz USMCAPKRDAUMAF-DQWBNOTDSA-N 0 0 241.334 4.015 20 0 BIADRN C/C=C\c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000515324705 387363265 /nfs/dbraw/zinc/36/32/65/387363265.db2.gz USMCAPKRDAUMAF-FWWGQDLDSA-N 0 0 241.334 4.015 20 0 BIADRN C/C=C/c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000515324706 387364326 /nfs/dbraw/zinc/36/43/26/387364326.db2.gz USMCAPKRDAUMAF-IWZWCOEHSA-N 0 0 241.334 4.015 20 0 BIADRN C/C=C/c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000515324707 387363573 /nfs/dbraw/zinc/36/35/73/387363573.db2.gz USMCAPKRDAUMAF-JBQRSBCVSA-N 0 0 241.334 4.015 20 0 BIADRN COc1ccc(C)cc1CSC1CCCC1 ZINC000515359538 387368100 /nfs/dbraw/zinc/36/81/00/387368100.db2.gz FDMNVRWPLFQSEQ-UHFFFAOYSA-N 0 0 236.380 4.179 20 0 BIADRN FCCCCCSc1cccc(F)c1 ZINC000515470243 387383321 /nfs/dbraw/zinc/38/33/21/387383321.db2.gz NUEHUHLLDNHDBX-UHFFFAOYSA-N 0 0 216.296 4.058 20 0 BIADRN CC(C)=CCSc1ncc(C(C)(C)C)o1 ZINC000515474209 387383738 /nfs/dbraw/zinc/38/37/38/387383738.db2.gz MJIHQTCJXRTMGF-UHFFFAOYSA-N 0 0 225.357 4.030 20 0 BIADRN CCC(CC)N(CC)C(=O)Nc1ccccc1C ZINC000515475605 387382866 /nfs/dbraw/zinc/38/28/66/387382866.db2.gz BAQPCINUICJWOA-UHFFFAOYSA-N 0 0 248.370 4.037 20 0 BIADRN C[C@H](Sc1ccc(O)cc1)c1ccccc1F ZINC000515488163 387386191 /nfs/dbraw/zinc/38/61/91/387386191.db2.gz ZDLBPNKAMWLKMF-JTQLQIEISA-N 0 0 248.322 4.385 20 0 BIADRN C[C@@H](Sc1ccc(O)cc1)c1ccccc1F ZINC000515488164 387386670 /nfs/dbraw/zinc/38/66/70/387386670.db2.gz ZDLBPNKAMWLKMF-SNVBAGLBSA-N 0 0 248.322 4.385 20 0 BIADRN CCCCOCCSc1ccccc1Cl ZINC000515582676 256750202 /nfs/dbraw/zinc/75/02/02/256750202.db2.gz IGGASGSJDJVKKF-UHFFFAOYSA-N 0 0 244.787 4.249 20 0 BIADRN CCCCOCCSc1ccc(Cl)cc1 ZINC000515593051 387402445 /nfs/dbraw/zinc/40/24/45/387402445.db2.gz LYIQDHIGKHQFMH-UHFFFAOYSA-N 0 0 244.787 4.249 20 0 BIADRN Cc1ccc(SCCOCCC(C)C)cc1 ZINC000515598939 387402365 /nfs/dbraw/zinc/40/23/65/387402365.db2.gz OJDDWYNVUDTESM-UHFFFAOYSA-N 0 0 238.396 4.150 20 0 BIADRN C[C@@H](CCc1ccccc1)Sc1ccccn1 ZINC000515598962 256751239 /nfs/dbraw/zinc/75/12/39/256751239.db2.gz RCXGJEYLOJNMBN-ZDUSSCGKSA-N 0 0 243.375 4.195 20 0 BIADRN CC(C)CCOCCSC1CCCCC1 ZINC000515599646 387402312 /nfs/dbraw/zinc/40/23/12/387402312.db2.gz SVRSSDFGRNPESI-UHFFFAOYSA-N 0 0 230.417 4.115 20 0 BIADRN CCCCc1nc(-c2ccccc2)c(C)s1 ZINC000515602238 256751572 /nfs/dbraw/zinc/75/15/72/256751572.db2.gz YMMRIAXYWWYBPZ-UHFFFAOYSA-N 0 0 231.364 4.461 20 0 BIADRN CCCCSCc1cccc2cccnc21 ZINC000515720054 387419949 /nfs/dbraw/zinc/41/99/49/387419949.db2.gz UICZBLZKQWFVNQ-UHFFFAOYSA-N 0 0 231.364 4.268 20 0 BIADRN CCCSCc1ccccc1OC(C)C ZINC000515723214 387419937 /nfs/dbraw/zinc/41/99/37/387419937.db2.gz RDXOJWXEBZIJBN-UHFFFAOYSA-N 0 0 224.369 4.117 20 0 BIADRN CCSCc1csc(-c2cccs2)n1 ZINC000515751324 387421196 /nfs/dbraw/zinc/42/11/96/387421196.db2.gz PLUJEEMJTXLHGF-UHFFFAOYSA-N 0 0 241.406 4.125 20 0 BIADRN FC(F)(F)CSCc1cccc(Cl)c1 ZINC000516344527 387499084 /nfs/dbraw/zinc/49/90/84/387499084.db2.gz XHYPQFYFJIIMNM-UHFFFAOYSA-N 0 0 240.677 4.136 20 0 BIADRN CCCCCN(C(=O)[C@@H](C)CC)[C@@H](C)CCC ZINC000516369958 387506405 /nfs/dbraw/zinc/50/64/05/387506405.db2.gz XWRUTBQTOQTGGV-KBPBESRZSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCN(C(=O)[C@H](C)CC)[C@@H](C)CCC ZINC000516369959 387506500 /nfs/dbraw/zinc/50/65/00/387506500.db2.gz XWRUTBQTOQTGGV-KGLIPLIRSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCN(C(=O)[C@@H](C)CC)[C@H](C)CCC ZINC000516369960 387505427 /nfs/dbraw/zinc/50/54/27/387505427.db2.gz XWRUTBQTOQTGGV-UONOGXRCSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCN(C(=O)[C@H](C)CC)[C@H](C)CCC ZINC000516369961 256775687 /nfs/dbraw/zinc/77/56/87/256775687.db2.gz XWRUTBQTOQTGGV-ZIAGYGMSSA-N 0 0 241.419 4.240 20 0 BIADRN CC(C)=CCNc1cc(-c2ncco2)ccc1C ZINC000516510936 324118228 /nfs/dbraw/zinc/11/82/28/324118228.db2.gz HSBURDFCMYBYRZ-UHFFFAOYSA-N 0 0 242.322 4.028 20 0 BIADRN Cc1nocc1CSCc1ccc(C)c(C)c1 ZINC000516585415 388359206 /nfs/dbraw/zinc/35/92/06/388359206.db2.gz RBERIYWAVWFEGQ-UHFFFAOYSA-N 0 0 247.363 4.033 20 0 BIADRN Cc1nocc1CSCc1cc(C)cc(C)c1 ZINC000516585647 256794485 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/nfs/dbraw/zinc/45/35/81/388453581.db2.gz PNBQPDNCJDSPPN-UONOGXRCSA-N 0 0 240.350 4.159 20 0 BIADRN c1cc2cccc(N[C@@H]3CC[C@@H]3C3CCC3)c2[nH]1 ZINC000516632159 256799216 /nfs/dbraw/zinc/79/92/16/256799216.db2.gz PNBQPDNCJDSPPN-ZIAGYGMSSA-N 0 0 240.350 4.159 20 0 BIADRN CC1(CNc2ccccc2CC(F)(F)F)CC1 ZINC000516700835 387421748 /nfs/dbraw/zinc/42/17/48/387421748.db2.gz APMRXSTVHIERLW-UHFFFAOYSA-N 0 0 243.272 4.003 20 0 BIADRN CS[C@@H](C)c1cccc2ccccc21 ZINC000516703012 388514622 /nfs/dbraw/zinc/51/46/22/388514622.db2.gz OBNBHZJGXLHOFI-JTQLQIEISA-N 0 0 202.322 4.264 20 0 BIADRN CS[C@H](C)c1cccc2ccccc21 ZINC000516703013 388514428 /nfs/dbraw/zinc/51/44/28/388514428.db2.gz OBNBHZJGXLHOFI-SNVBAGLBSA-N 0 0 202.322 4.264 20 0 BIADRN Cc1ccc(SCCOC(C)(C)C)c(C)c1 ZINC000516715818 256800379 /nfs/dbraw/zinc/80/03/79/256800379.db2.gz JPRDMQCSIKVCRN-UHFFFAOYSA-N 0 0 238.396 4.211 20 0 BIADRN CCOc1cc(N[C@H](C)c2ccco2)ccc1C ZINC000516794135 388518313 /nfs/dbraw/zinc/51/83/13/388518313.db2.gz 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CCCCCC(=O)N(c1cccc(C)c1)C(C)C ZINC000523279726 388814131 /nfs/dbraw/zinc/81/41/31/388814131.db2.gz IDAMAQAFLQRIRS-UHFFFAOYSA-N 0 0 247.382 4.317 20 0 BIADRN CC(C)(C)OCCOc1ccc2ccccc2c1 ZINC000523303101 388819803 /nfs/dbraw/zinc/81/98/03/388819803.db2.gz ZAKUJNYIWYNAQZ-UHFFFAOYSA-N 0 0 244.334 4.034 20 0 BIADRN CCCCSc1ncc(C(C)C)n1C(C)C ZINC000523497548 388842426 /nfs/dbraw/zinc/84/24/26/388842426.db2.gz OQWFGEQSXKFSPH-UHFFFAOYSA-N 0 0 240.416 4.480 20 0 BIADRN CC[C@@H](C)Sc1ncc(C(C)C)n1C(C)C ZINC000523497870 388842911 /nfs/dbraw/zinc/84/29/11/388842911.db2.gz JLABRRQPHFABNX-LLVKDONJSA-N 0 0 240.416 4.478 20 0 BIADRN CC[C@H](C)Sc1ncc(C(C)C)n1C(C)C ZINC000523497871 259653734 /nfs/dbraw/zinc/65/37/34/259653734.db2.gz JLABRRQPHFABNX-NSHDSACASA-N 0 0 240.416 4.478 20 0 BIADRN CCCC[C@H](CC)CC(=O)NC[C@H](C)C(C)C ZINC000523502707 259653900 /nfs/dbraw/zinc/65/39/00/259653900.db2.gz JEILQTARBQZDLZ-KBPBESRZSA-N 0 0 241.419 4.001 20 0 BIADRN CCCC[C@H](CC)CC(=O)NC[C@@H](C)C(C)C ZINC000523502708 259653809 /nfs/dbraw/zinc/65/38/09/259653809.db2.gz JEILQTARBQZDLZ-KGLIPLIRSA-N 0 0 241.419 4.001 20 0 BIADRN CCCC[C@@H](CC)CC(=O)NC[C@H](C)C(C)C ZINC000523502709 259653752 /nfs/dbraw/zinc/65/37/52/259653752.db2.gz JEILQTARBQZDLZ-UONOGXRCSA-N 0 0 241.419 4.001 20 0 BIADRN CCCC[C@@H](CC)CC(=O)NC[C@@H](C)C(C)C ZINC000523502710 388844011 /nfs/dbraw/zinc/84/40/11/388844011.db2.gz JEILQTARBQZDLZ-ZIAGYGMSSA-N 0 0 241.419 4.001 20 0 BIADRN CCOCCSCc1ccc2ccccc2c1 ZINC000523521955 388845392 /nfs/dbraw/zinc/84/53/92/388845392.db2.gz MYLYCISRGSXKOS-UHFFFAOYSA-N 0 0 246.375 4.110 20 0 BIADRN Cc1ccc(NC(=O)C2CCCCCC2)c(C)c1 ZINC000523547925 324208636 /nfs/dbraw/zinc/20/86/36/324208636.db2.gz LAIDMXQZKAFBCX-UHFFFAOYSA-N 0 0 245.366 4.212 20 0 BIADRN CCc1cccc(NC(=O)C2CCCCCC2)c1 ZINC000523549793 324208198 /nfs/dbraw/zinc/20/81/98/324208198.db2.gz QQGKIQUTZCVKCM-UHFFFAOYSA-N 0 0 245.366 4.158 20 0 BIADRN Cc1ccc(NC(=O)C2CCCCCC2)cc1F ZINC000523549810 324208615 /nfs/dbraw/zinc/20/86/15/324208615.db2.gz RPVAFQFZVDOEIG-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN Cc1cc(C)cc(NC(=O)C2CCCCCC2)c1 ZINC000523551401 324208396 /nfs/dbraw/zinc/20/83/96/324208396.db2.gz QRSVUAFETRCIHE-UHFFFAOYSA-N 0 0 245.366 4.212 20 0 BIADRN Cc1ccc(F)c(NC(=O)C2CCCCCC2)c1 ZINC000523557463 324208682 /nfs/dbraw/zinc/20/86/82/324208682.db2.gz PCILORHYCHQBMF-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN Cc1ccc(NC(=O)C2CCCCCC2)c(F)c1 ZINC000523558693 324208090 /nfs/dbraw/zinc/20/80/90/324208090.db2.gz NSMLOZFLWAFZSX-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN CC(C)(C)OCCSc1cccc(Cl)c1 ZINC000523581800 324208321 /nfs/dbraw/zinc/20/83/21/324208321.db2.gz KHDJNMUNDKQJNM-UHFFFAOYSA-N 0 0 244.787 4.247 20 0 BIADRN Cc1ccc(F)cc1NC(=O)C1CCCCCC1 ZINC000523582545 324208186 /nfs/dbraw/zinc/20/81/86/324208186.db2.gz QLPOFNPSGQJEHQ-UHFFFAOYSA-N 0 0 249.329 4.043 20 0 BIADRN Clc1cccc(SCCc2ccccn2)c1 ZINC000523583271 324209050 /nfs/dbraw/zinc/20/90/50/324209050.db2.gz DUFNSMPOKPGHBS-UHFFFAOYSA-N 0 0 249.766 4.070 20 0 BIADRN Cc1ccc(NC(=O)CC2CCC(C)CC2)cc1 ZINC000523711902 388856697 /nfs/dbraw/zinc/85/66/97/388856697.db2.gz XFLSYOHWJAWSAZ-UHFFFAOYSA-N 0 0 245.366 4.150 20 0 BIADRN Cc1ccccc1NC(=O)CC1CCC(C)CC1 ZINC000523726627 259658103 /nfs/dbraw/zinc/65/81/03/259658103.db2.gz GXJYUFMRMRNSJU-UHFFFAOYSA-N 0 0 245.366 4.150 20 0 BIADRN CCc1ccc(NC(=O)C2CCCCCC2)cc1 ZINC000523833702 388861505 /nfs/dbraw/zinc/86/15/05/388861505.db2.gz GBLIRLJJDXVFNA-UHFFFAOYSA-N 0 0 245.366 4.158 20 0 BIADRN Cc1ccc(C)c(NC(=O)C2CCCCCC2)c1 ZINC000523866990 388863098 /nfs/dbraw/zinc/86/30/98/388863098.db2.gz KVEMJURCMLCCFT-UHFFFAOYSA-N 0 0 245.366 4.212 20 0 BIADRN Clc1cccc(SC[C@H]2CCCCO2)c1 ZINC000523870114 388862971 /nfs/dbraw/zinc/86/29/71/388862971.db2.gz RFYXWXDZHQHLMG-LLVKDONJSA-N 0 0 242.771 4.001 20 0 BIADRN Clc1cccc(SC[C@@H]2CCCCO2)c1 ZINC000523870115 388862308 /nfs/dbraw/zinc/86/23/08/388862308.db2.gz RFYXWXDZHQHLMG-NSHDSACASA-N 0 0 242.771 4.001 20 0 BIADRN Cc1ccc(-c2csc(CC(C)C)n2)s1 ZINC000523910004 388862876 /nfs/dbraw/zinc/86/28/76/388862876.db2.gz YWVKENUBEAGGPV-UHFFFAOYSA-N 0 0 237.393 4.379 20 0 BIADRN CCCC(C)(C)NC(=O)Nc1cc(C)cc(C)c1 ZINC000523919760 259660303 /nfs/dbraw/zinc/66/03/03/259660303.db2.gz MFFUIJJMOABAGF-UHFFFAOYSA-N 0 0 248.370 4.004 20 0 BIADRN Cc1ccc(SC[C@@H](C)c2ccccc2)nc1 ZINC000523932130 259660575 /nfs/dbraw/zinc/66/05/75/259660575.db2.gz DSZMTWHXWVFZBJ-CYBMUJFWSA-N 0 0 243.375 4.286 20 0 BIADRN Cc1ccc(SC[C@H](C)c2ccccc2)nc1 ZINC000523932137 259660223 /nfs/dbraw/zinc/66/02/23/259660223.db2.gz DSZMTWHXWVFZBJ-ZDUSSCGKSA-N 0 0 243.375 4.286 20 0 BIADRN COCCCCCSc1cccc(Cl)c1 ZINC000523932317 259660228 /nfs/dbraw/zinc/66/02/28/259660228.db2.gz LLHRNYUNOJBDAR-UHFFFAOYSA-N 0 0 244.787 4.249 20 0 BIADRN CCCC(C)(C)NC(=O)Nc1ccc(C)c(C)c1 ZINC000523935014 388862071 /nfs/dbraw/zinc/86/20/71/388862071.db2.gz MWHYCEKROXZXMC-UHFFFAOYSA-N 0 0 248.370 4.004 20 0 BIADRN COCCCCCS[C@H](C)c1ccccc1 ZINC000523939918 388863801 /nfs/dbraw/zinc/86/38/01/388863801.db2.gz KPJAMQLQGZNVEP-CYBMUJFWSA-N 0 0 238.396 4.298 20 0 BIADRN COCCCCCS[C@@H](C)c1ccccc1 ZINC000523939919 388863999 /nfs/dbraw/zinc/86/39/99/388863999.db2.gz KPJAMQLQGZNVEP-ZDUSSCGKSA-N 0 0 238.396 4.298 20 0 BIADRN CCCC(CCC)SCC1CCOCC1 ZINC000524034878 388346457 /nfs/dbraw/zinc/34/64/57/388346457.db2.gz CBBLHMHDGMEOAY-UHFFFAOYSA-N 0 0 230.417 4.115 20 0 BIADRN Cc1ccc(CCSC2CCCC2)cc1 ZINC000524035082 388346347 /nfs/dbraw/zinc/34/63/47/388346347.db2.gz RYCOXIDQEFYHHI-UHFFFAOYSA-N 0 0 220.381 4.213 20 0 BIADRN CCCC(CCC)Sc1ncnc2[nH]ccc21 ZINC000524165198 388348594 /nfs/dbraw/zinc/34/85/94/388348594.db2.gz XKCXFJDPLSKQHF-UHFFFAOYSA-N 0 0 249.383 4.019 20 0 BIADRN CCCC[C@H](CC)CC(=O)N(CC)CC(C)C ZINC000524210528 388350709 /nfs/dbraw/zinc/35/07/09/388350709.db2.gz HIRHMYUBANRYQE-AWEZNQCLSA-N 0 0 241.419 4.097 20 0 BIADRN CCCC[C@@H](CC)CC(=O)N(CC)CC(C)C ZINC000524210529 259664991 /nfs/dbraw/zinc/66/49/91/259664991.db2.gz HIRHMYUBANRYQE-CQSZACIVSA-N 0 0 241.419 4.097 20 0 BIADRN CCCC[C@H](CC)CC(=O)N(CC)CCCC ZINC000524212385 388350655 /nfs/dbraw/zinc/35/06/55/388350655.db2.gz VSRRDZQLPCJPSO-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCC[C@@H](CC)CC(=O)N(CC)CCCC ZINC000524212386 388350526 /nfs/dbraw/zinc/35/05/26/388350526.db2.gz VSRRDZQLPCJPSO-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCCC[C@H](CC)CC(=O)N(C)[C@@H](C)C(C)C ZINC000524212426 388350613 /nfs/dbraw/zinc/35/06/13/388350613.db2.gz XIUDZQZBWGVPQB-KBPBESRZSA-N 0 0 241.419 4.096 20 0 BIADRN CCCC[C@H](CC)CC(=O)N(C)[C@H](C)C(C)C ZINC000524212427 388350616 /nfs/dbraw/zinc/35/06/16/388350616.db2.gz XIUDZQZBWGVPQB-KGLIPLIRSA-N 0 0 241.419 4.096 20 0 BIADRN CCCC[C@@H](CC)CC(=O)N(C)[C@@H](C)C(C)C ZINC000524212428 388350626 /nfs/dbraw/zinc/35/06/26/388350626.db2.gz XIUDZQZBWGVPQB-UONOGXRCSA-N 0 0 241.419 4.096 20 0 BIADRN CCCC[C@@H](CC)CC(=O)N(C)[C@H](C)C(C)C ZINC000524212429 388351096 /nfs/dbraw/zinc/35/10/96/388351096.db2.gz XIUDZQZBWGVPQB-ZIAGYGMSSA-N 0 0 241.419 4.096 20 0 BIADRN CCCC(CCC)SCCc1cccnc1 ZINC000524239899 388352481 /nfs/dbraw/zinc/35/24/81/388352481.db2.gz VAVCQTUWUNCQFL-UHFFFAOYSA-N 0 0 237.412 4.326 20 0 BIADRN Cc1ccc(NC(=O)CCC(C)(C)C)cc1C ZINC000524250063 388353545 /nfs/dbraw/zinc/35/35/45/388353545.db2.gz AGUPKRCXMPXPQS-UHFFFAOYSA-N 0 0 233.355 4.068 20 0 BIADRN CC[C@@H](SCCOC)c1ccc(Cl)cc1 ZINC000524261122 388354454 /nfs/dbraw/zinc/35/44/54/388354454.db2.gz AIHWAUWJDVBWOT-GFCCVEGCSA-N 0 0 244.787 4.171 20 0 BIADRN CC[C@H](SCCOC)c1ccc(Cl)cc1 ZINC000524261123 259667238 /nfs/dbraw/zinc/66/72/38/259667238.db2.gz AIHWAUWJDVBWOT-LBPRGKRZSA-N 0 0 244.787 4.171 20 0 BIADRN CCSCCCOc1ccc2ccccc2c1 ZINC000524323140 388355295 /nfs/dbraw/zinc/35/52/95/388355295.db2.gz OTLHZWIGOFCBTF-UHFFFAOYSA-N 0 0 246.375 4.362 20 0 BIADRN Fc1ccccc1S[C@H]1C=CCCC1 ZINC000524443687 388360866 /nfs/dbraw/zinc/36/08/66/388360866.db2.gz KJMKEFOZTQWXJX-JTQLQIEISA-N 0 0 208.301 4.027 20 0 BIADRN Fc1ccccc1S[C@@H]1C=CCCC1 ZINC000524443688 388361006 /nfs/dbraw/zinc/36/10/06/388361006.db2.gz KJMKEFOZTQWXJX-SNVBAGLBSA-N 0 0 208.301 4.027 20 0 BIADRN Fc1ccc(S[C@@H]2C=CCCC2)cc1F ZINC000524443842 388361267 /nfs/dbraw/zinc/36/12/67/388361267.db2.gz YOAKHXLIEFZVTQ-SECBINFHSA-N 0 0 226.291 4.166 20 0 BIADRN Fc1ccc(S[C@H]2C=CCCC2)cc1F ZINC000524443843 388360480 /nfs/dbraw/zinc/36/04/80/388360480.db2.gz YOAKHXLIEFZVTQ-VIFPVBQESA-N 0 0 226.291 4.166 20 0 BIADRN CCC(CC)SCc1cn2cccc(C)c2n1 ZINC000524465630 388361927 /nfs/dbraw/zinc/36/19/27/388361927.db2.gz OLEGHFFOZRPLMG-UHFFFAOYSA-N 0 0 248.395 4.065 20 0 BIADRN CCCCC(=O)N[C@H](C)CCC1CCCCC1 ZINC000524514035 388363938 /nfs/dbraw/zinc/36/39/38/388363938.db2.gz LIXJCMBPBZPUPB-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000524514036 259671213 /nfs/dbraw/zinc/67/12/13/259671213.db2.gz LIXJCMBPBZPUPB-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN Cc1cccc(NC(=O)CC2CCC(C)CC2)c1 ZINC000524537938 388365019 /nfs/dbraw/zinc/36/50/19/388365019.db2.gz GIWQFULFOUFVOQ-UHFFFAOYSA-N 0 0 245.366 4.150 20 0 BIADRN CC(C)(C)CCCc1nc(-c2ccccc2)no1 ZINC000524628611 388368064 /nfs/dbraw/zinc/36/80/64/388368064.db2.gz DHNLANHHJIOZOU-UHFFFAOYSA-N 0 0 244.338 4.105 20 0 BIADRN Cc1cc(C)cc(-c2nc(C3CCCC3)no2)c1 ZINC000524631860 259673752 /nfs/dbraw/zinc/67/37/52/259673752.db2.gz BDZXKEMSONLKHF-UHFFFAOYSA-N 0 0 242.322 4.011 20 0 BIADRN C[C@H]1CCCC[C@H]1Cc1nc(C2CCCC2)no1 ZINC000524631934 388369235 /nfs/dbraw/zinc/36/92/35/388369235.db2.gz GXHRRMUQCGGTCD-AAEUAGOBSA-N 0 0 248.370 4.096 20 0 BIADRN C[C@@H]1CCCC[C@@H]1Cc1nc(C2CCCC2)no1 ZINC000524631935 388369701 /nfs/dbraw/zinc/36/97/01/388369701.db2.gz GXHRRMUQCGGTCD-DGCLKSJQSA-N 0 0 248.370 4.096 20 0 BIADRN C[C@H]1CCCC[C@@H]1Cc1nc(C2CCCC2)no1 ZINC000524631936 388369767 /nfs/dbraw/zinc/36/97/67/388369767.db2.gz GXHRRMUQCGGTCD-WCQYABFASA-N 0 0 248.370 4.096 20 0 BIADRN C[C@@H]1CCCC[C@H]1Cc1nc(C2CCCC2)no1 ZINC000524631937 388369929 /nfs/dbraw/zinc/36/99/29/388369929.db2.gz GXHRRMUQCGGTCD-YPMHNXCESA-N 0 0 248.370 4.096 20 0 BIADRN C(CC1CCCCC1)c1nc(C2CCCC2)no1 ZINC000524632819 259673496 /nfs/dbraw/zinc/67/34/96/259673496.db2.gz NNQCFJRJFYCJNX-UHFFFAOYSA-N 0 0 248.370 4.240 20 0 BIADRN CCc1ccccc1NC(=O)C[C@H](CC)C(C)C ZINC000524705907 388375406 /nfs/dbraw/zinc/37/54/06/388375406.db2.gz YDLIDXHZCNDXTJ-AWEZNQCLSA-N 0 0 247.382 4.260 20 0 BIADRN CCc1ccccc1NC(=O)C[C@@H](CC)C(C)C ZINC000524705908 388375220 /nfs/dbraw/zinc/37/52/20/388375220.db2.gz YDLIDXHZCNDXTJ-CQSZACIVSA-N 0 0 247.382 4.260 20 0 BIADRN CC(C)=CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000524751770 388407082 /nfs/dbraw/zinc/40/70/82/388407082.db2.gz NFUNFPRDSJDCCM-KBPBESRZSA-N 0 0 233.355 4.019 20 0 BIADRN CC(C)=CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000524751772 388406645 /nfs/dbraw/zinc/40/66/45/388406645.db2.gz NFUNFPRDSJDCCM-KGLIPLIRSA-N 0 0 233.355 4.019 20 0 BIADRN CC(C)=CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000524751773 388407184 /nfs/dbraw/zinc/40/71/84/388407184.db2.gz NFUNFPRDSJDCCM-UONOGXRCSA-N 0 0 233.355 4.019 20 0 BIADRN CC(C)=CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000524751774 388406931 /nfs/dbraw/zinc/40/69/31/388406931.db2.gz NFUNFPRDSJDCCM-ZIAGYGMSSA-N 0 0 233.355 4.019 20 0 BIADRN CCC(CC)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000524792515 388410146 /nfs/dbraw/zinc/41/01/46/388410146.db2.gz IFNDWWYJACIYMC-UHFFFAOYSA-N 0 0 248.301 4.088 20 0 BIADRN Fc1ccccc1CSCCC(F)(F)F ZINC000524886083 388411755 /nfs/dbraw/zinc/41/17/55/388411755.db2.gz BRCBJBQBQYECCT-UHFFFAOYSA-N 0 0 238.249 4.011 20 0 BIADRN Cc1cccc(CSCCC(F)(F)F)c1 ZINC000524886354 259692835 /nfs/dbraw/zinc/69/28/35/259692835.db2.gz OYMPNVYFBSVKST-UHFFFAOYSA-N 0 0 234.286 4.181 20 0 BIADRN Cc1cc(C)c(CSCc2ccon2)c(C)c1 ZINC000524886655 259693042 /nfs/dbraw/zinc/69/30/42/259693042.db2.gz IGFSKTIFXGZTKY-UHFFFAOYSA-N 0 0 247.363 4.033 20 0 BIADRN Cc1cccc(C)c1CSCCC(F)(F)F ZINC000524886815 259692918 /nfs/dbraw/zinc/69/29/18/259692918.db2.gz OKGCQLQXLRTCIC-UHFFFAOYSA-N 0 0 248.313 4.489 20 0 BIADRN C/C=C\CSCCOC1CCCCCC1 ZINC000524890088 388412796 /nfs/dbraw/zinc/41/27/96/388412796.db2.gz YKDBCXAHZANFEC-IHWYPQMZSA-N 0 0 228.401 4.035 20 0 BIADRN C/C=C/CSCCOC1CCCCCC1 ZINC000524890089 259692877 /nfs/dbraw/zinc/69/28/77/259692877.db2.gz YKDBCXAHZANFEC-NSCUHMNNSA-N 0 0 228.401 4.035 20 0 BIADRN Cc1ccc(SCCC2CCCC2)nc1 ZINC000525003121 388414183 /nfs/dbraw/zinc/41/41/83/388414183.db2.gz SANJDMDCJQOMBX-UHFFFAOYSA-N 0 0 221.369 4.062 20 0 BIADRN Cc1ccccc1CSCCCOC(C)C ZINC000525003787 388413998 /nfs/dbraw/zinc/41/39/98/388413998.db2.gz SUDUIBBRRPZCAP-UHFFFAOYSA-N 0 0 238.396 4.043 20 0 BIADRN CC(C)OCCCSc1cccc(Cl)c1 ZINC000525004479 259694029 /nfs/dbraw/zinc/69/40/29/259694029.db2.gz QLLLTDOLCOCVDA-UHFFFAOYSA-N 0 0 244.787 4.247 20 0 BIADRN COc1ccccc1SCCC1CCCC1 ZINC000525005890 259693989 /nfs/dbraw/zinc/69/39/89/259693989.db2.gz VETDYQDXXJRKFY-UHFFFAOYSA-N 0 0 236.380 4.368 20 0 BIADRN Cc1ccc(SCCCOC(C)C)cc1C ZINC000525046534 259694530 /nfs/dbraw/zinc/69/45/30/259694530.db2.gz CGWMYULCMIJTQS-UHFFFAOYSA-N 0 0 238.396 4.211 20 0 BIADRN CCC(CC)(CC)NC(=O)c1cc(C)cc(C)c1 ZINC000525077592 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FC(F)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530249835 323220423 /nfs/dbraw/zinc/22/04/23/323220423.db2.gz GVQCYAVPUFHLGD-UHFFFAOYSA-N 0 0 235.233 4.157 20 0 BIADRN CCCc1ccccc1-c1cnc(C2CC2)o1 ZINC000530250464 388640201 /nfs/dbraw/zinc/64/02/01/388640201.db2.gz KKKFTDPCWGGFJT-UHFFFAOYSA-N 0 0 227.307 4.172 20 0 BIADRN CCCOc1ccccc1-c1cnc(C2CC2)o1 ZINC000530250609 388640294 /nfs/dbraw/zinc/64/02/94/388640294.db2.gz LRSNXMCCCPMJJP-UHFFFAOYSA-N 0 0 243.306 4.008 20 0 BIADRN Cc1cc(C)c(-c2cnc(C3CC3)o2)cc1C ZINC000530250765 324560061 /nfs/dbraw/zinc/56/00/61/324560061.db2.gz OIURTWHWYZUGDB-UHFFFAOYSA-N 0 0 227.307 4.144 20 0 BIADRN Cc1cc2ccc(-c3cnc(C4CC4)o3)cc2[nH]1 ZINC000530251366 324560277 /nfs/dbraw/zinc/56/02/77/324560277.db2.gz STVIPTCWOFARNB-UHFFFAOYSA-N 0 0 238.290 4.009 20 0 BIADRN Cc1cc2cccc(-c3cnc(C4CC4)o3)c2o1 ZINC000530251391 324560235 /nfs/dbraw/zinc/56/02/35/324560235.db2.gz UPTMLIVXTXWCAC-UHFFFAOYSA-N 0 0 239.274 4.274 20 0 BIADRN Cc1cc2cc(-c3cnc(C4CC4)o3)ccc2o1 ZINC000530251859 323220174 /nfs/dbraw/zinc/22/01/74/323220174.db2.gz WHHWZISRTHXGGB-UHFFFAOYSA-N 0 0 239.274 4.274 20 0 BIADRN CC(C)Oc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530251975 324560161 /nfs/dbraw/zinc/56/01/61/324560161.db2.gz YWPLUOQFVSAXIS-UHFFFAOYSA-N 0 0 243.306 4.006 20 0 BIADRN C[C@H](CSCc1cccnc1)c1ccccc1 ZINC000530282106 324573886 /nfs/dbraw/zinc/57/38/86/324573886.db2.gz GZWXREFRCXUKRU-CYBMUJFWSA-N 0 0 243.375 4.119 20 0 BIADRN C[C@@H](CSCc1cccnc1)c1ccccc1 ZINC000530282107 388647830 /nfs/dbraw/zinc/64/78/30/388647830.db2.gz GZWXREFRCXUKRU-ZDUSSCGKSA-N 0 0 243.375 4.119 20 0 BIADRN CCC[C@@H](CC)SCc1ncc(CC)o1 ZINC000530298940 324576867 /nfs/dbraw/zinc/57/68/67/324576867.db2.gz HAVXAGVTKIDCML-LLVKDONJSA-N 0 0 227.373 4.049 20 0 BIADRN CCC[C@H](CC)SCc1ncc(CC)o1 ZINC000530298941 388648406 /nfs/dbraw/zinc/64/84/06/388648406.db2.gz HAVXAGVTKIDCML-NSHDSACASA-N 0 0 227.373 4.049 20 0 BIADRN FC1(CNc2cccc(-c3cccs3)c2)CC1 ZINC000530319141 388649297 /nfs/dbraw/zinc/64/92/97/388649297.db2.gz 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C[C@@H]1CC/C(=C\c2nc(-c3cccs3)no2)C1 ZINC000530761293 322892453 /nfs/dbraw/zinc/89/24/53/322892453.db2.gz AXSMPTBLDKIAKQ-NCXKZPMSSA-N 0 0 246.335 4.002 20 0 BIADRN C[C@@H]1CC/C(=C/c2nc(-c3cccs3)no2)C1 ZINC000530761294 322892541 /nfs/dbraw/zinc/89/25/41/322892541.db2.gz AXSMPTBLDKIAKQ-URLRMUCDSA-N 0 0 246.335 4.002 20 0 BIADRN C[C@H]1CC/C(=C\c2nc(-c3cccs3)no2)C1 ZINC000530761295 322892480 /nfs/dbraw/zinc/89/24/80/322892480.db2.gz AXSMPTBLDKIAKQ-WKMLFNHBSA-N 0 0 246.335 4.002 20 0 BIADRN C/C=C/CSCc1nc(C(C)(C)C)cs1 ZINC000530799087 385087803 /nfs/dbraw/zinc/08/78/03/385087803.db2.gz TWCRWBWVFNHOSU-AATRIKPKSA-N 0 0 241.425 4.250 20 0 BIADRN C/C=C\CSCc1nc(C(C)(C)C)cs1 ZINC000530799088 322894546 /nfs/dbraw/zinc/89/45/46/322894546.db2.gz TWCRWBWVFNHOSU-WAYWQWQTSA-N 0 0 241.425 4.250 20 0 BIADRN Fc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000530884053 385135088 /nfs/dbraw/zinc/13/50/88/385135088.db2.gz JJVFKXFWZKFPHK-HNNXBMFYSA-N 0 0 245.272 4.064 20 0 BIADRN Fc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1 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C[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(F)c1 ZINC000539608839 324847744 /nfs/dbraw/zinc/84/77/44/324847744.db2.gz IWWUMWXYAKKLIE-MEDUHNTESA-N 0 0 241.309 4.171 20 0 BIADRN C[C@H]1Cc2ccccc2[C@H]1Nc1cccc(F)c1 ZINC000539608840 388767749 /nfs/dbraw/zinc/76/77/49/388767749.db2.gz IWWUMWXYAKKLIE-ZBEGNZNMSA-N 0 0 241.309 4.171 20 0 BIADRN Cc1ccc([C@H](C)Nc2cc(C)ccn2)c(C)c1 ZINC000539610212 324847613 /nfs/dbraw/zinc/84/76/13/324847613.db2.gz XXJUVASGGIBLFN-AWEZNQCLSA-N 0 0 240.350 4.180 20 0 BIADRN Cc1ccc([C@@H](C)Nc2cc(C)ccn2)c(C)c1 ZINC000539610213 388768595 /nfs/dbraw/zinc/76/85/95/388768595.db2.gz XXJUVASGGIBLFN-CQSZACIVSA-N 0 0 240.350 4.180 20 0 BIADRN Cc1ccnc(N[C@@H](C)c2cc(C)ccc2C)c1 ZINC000539610226 324847593 /nfs/dbraw/zinc/84/75/93/324847593.db2.gz YYSARLIWDCTWSO-AWEZNQCLSA-N 0 0 240.350 4.180 20 0 BIADRN Cc1ccnc(N[C@H](C)c2cc(C)ccc2C)c1 ZINC000539610227 388768568 /nfs/dbraw/zinc/76/85/68/388768568.db2.gz YYSARLIWDCTWSO-CQSZACIVSA-N 0 0 240.350 4.180 20 0 BIADRN Cc1cccc(N[C@H](c2cccnc2)C(C)C)c1 ZINC000539610629 324847806 /nfs/dbraw/zinc/84/78/06/324847806.db2.gz IZCMIYBABMLPRT-INIZCTEOSA-N 0 0 240.350 4.199 20 0 BIADRN Cc1cccc(N[C@@H](c2cccnc2)C(C)C)c1 ZINC000539610630 388768236 /nfs/dbraw/zinc/76/82/36/388768236.db2.gz IZCMIYBABMLPRT-MRXNPFEDSA-N 0 0 240.350 4.199 20 0 BIADRN CC(C)c1cccc(N[C@H](C)C2CCOCC2)c1 ZINC000539610911 388769011 /nfs/dbraw/zinc/76/90/11/388769011.db2.gz NRLHEWRBSSPCGE-CYBMUJFWSA-N 0 0 247.382 4.037 20 0 BIADRN CC(C)c1cccc(N[C@@H](C)C2CCOCC2)c1 ZINC000539610912 388767786 /nfs/dbraw/zinc/76/77/86/388767786.db2.gz NRLHEWRBSSPCGE-ZDUSSCGKSA-N 0 0 247.382 4.037 20 0 BIADRN C/C=C\CSCc1ncc(Cl)cc1Cl ZINC000539624599 324848817 /nfs/dbraw/zinc/84/88/17/324848817.db2.gz HMQKILGLKRGUFN-IHWYPQMZSA-N 0 0 248.178 4.198 20 0 BIADRN C/C=C/CSCc1ncc(Cl)cc1Cl ZINC000539624605 388768931 /nfs/dbraw/zinc/76/89/31/388768931.db2.gz HMQKILGLKRGUFN-NSCUHMNNSA-N 0 0 248.178 4.198 20 0 BIADRN Cc1cccc(C)c1CSCc1ccccn1 ZINC000539624776 388768884 /nfs/dbraw/zinc/76/88/84/388768884.db2.gz NWZCDUYGELSODQ-UHFFFAOYSA-N 0 0 243.375 4.132 20 0 BIADRN CC(C)=CCC[C@@H](C)Nc1cnn(C(C)(C)C)c1 ZINC000539645723 388768685 /nfs/dbraw/zinc/76/86/85/388768685.db2.gz DZACYCHJURHUOA-CYBMUJFWSA-N 0 0 249.402 4.185 20 0 BIADRN CC(C)=CCC[C@H](C)Nc1cnn(C(C)(C)C)c1 ZINC000539645724 324849706 /nfs/dbraw/zinc/84/97/06/324849706.db2.gz DZACYCHJURHUOA-ZDUSSCGKSA-N 0 0 249.402 4.185 20 0 BIADRN CCOCc1cccc(N[C@H](C)C2CCCC2)c1 ZINC000539650658 324850360 /nfs/dbraw/zinc/85/03/60/324850360.db2.gz PCBBZHQTROEUFO-CYBMUJFWSA-N 0 0 247.382 4.214 20 0 BIADRN CCOCc1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000539650659 388770558 /nfs/dbraw/zinc/77/05/58/388770558.db2.gz PCBBZHQTROEUFO-ZDUSSCGKSA-N 0 0 247.382 4.214 20 0 BIADRN Cc1ccncc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000539651740 324850522 /nfs/dbraw/zinc/85/05/22/324850522.db2.gz SLQXSHMNDJOGGH-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccncc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000539651746 388769324 /nfs/dbraw/zinc/76/93/24/388769324.db2.gz SLQXSHMNDJOGGH-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN CCOCc1cccc(N[C@H](C)[C@H](C)CC)c1 ZINC000539651948 388769783 /nfs/dbraw/zinc/76/97/83/388769783.db2.gz AAPUDLJTHSKZEJ-CHWSQXEVSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1cccc(N[C@@H](C)[C@H](C)CC)c1 ZINC000539651949 388769442 /nfs/dbraw/zinc/76/94/42/388769442.db2.gz AAPUDLJTHSKZEJ-OLZOCXBDSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1cccc(N[C@H](C)[C@@H](C)CC)c1 ZINC000539651950 324850528 /nfs/dbraw/zinc/85/05/28/324850528.db2.gz AAPUDLJTHSKZEJ-QWHCGFSZSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1cccc(N[C@@H](C)[C@@H](C)CC)c1 ZINC000539651951 324850105 /nfs/dbraw/zinc/85/01/05/324850105.db2.gz AAPUDLJTHSKZEJ-STQMWFEESA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1ccc(N[C@@H](CC)C(C)C)cc1 ZINC000539653351 324850225 /nfs/dbraw/zinc/85/02/25/324850225.db2.gz CIIVZKKYVBNWSL-HNNXBMFYSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1ccc(N[C@H](CC)C(C)C)cc1 ZINC000539653352 388770544 /nfs/dbraw/zinc/77/05/44/388770544.db2.gz CIIVZKKYVBNWSL-OAHLLOKOSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1ccc(N[C@H](C)C(C)(C)C)cc1 ZINC000539656164 388770247 /nfs/dbraw/zinc/77/02/47/388770247.db2.gz VUMOAPHWHLUURW-GFCCVEGCSA-N 0 0 235.371 4.070 20 0 BIADRN CCOCc1ccc(N[C@@H](C)C(C)(C)C)cc1 ZINC000539656165 324850867 /nfs/dbraw/zinc/85/08/67/324850867.db2.gz VUMOAPHWHLUURW-LBPRGKRZSA-N 0 0 235.371 4.070 20 0 BIADRN CCC[C@@H](C)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000539681157 324851489 /nfs/dbraw/zinc/85/14/89/324851489.db2.gz ZGUKJHOPNZGFQU-NEPJUHHUSA-N 0 0 249.402 4.332 20 0 BIADRN CCC[C@H](C)Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000539681158 324851482 /nfs/dbraw/zinc/85/14/82/324851482.db2.gz ZGUKJHOPNZGFQU-NWDGAFQWSA-N 0 0 249.402 4.332 20 0 BIADRN CCC[C@H](C)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000539681159 324851792 /nfs/dbraw/zinc/85/17/92/324851792.db2.gz ZGUKJHOPNZGFQU-RYUDHWBXSA-N 0 0 249.402 4.332 20 0 BIADRN CCC[C@@H](C)Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000539681160 324851852 /nfs/dbraw/zinc/85/18/52/324851852.db2.gz ZGUKJHOPNZGFQU-VXGBXAGGSA-N 0 0 249.402 4.332 20 0 BIADRN CCSc1cccc(NC(C2CC2)C2CC2)c1 ZINC000539727092 388774255 /nfs/dbraw/zinc/77/42/55/388774255.db2.gz CGNBYYUYPRDXBR-UHFFFAOYSA-N 0 0 247.407 4.399 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@H](C(C)C)C2CC2)c1 ZINC000539732910 324855032 /nfs/dbraw/zinc/85/50/32/324855032.db2.gz AFWDJQIPJKICQY-BLLLJJGKSA-N 0 0 247.382 4.241 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@@H](C(C)C)C2CC2)c1 ZINC000539732911 388773960 /nfs/dbraw/zinc/77/39/60/388773960.db2.gz AFWDJQIPJKICQY-LRDDRELGSA-N 0 0 247.382 4.241 20 0 BIADRN CO[C@H](C)c1cccc(N[C@H](C(C)C)C2CC2)c1 ZINC000539732912 324855072 /nfs/dbraw/zinc/85/50/72/324855072.db2.gz AFWDJQIPJKICQY-MLGOLLRUSA-N 0 0 247.382 4.241 20 0 BIADRN CO[C@H](C)c1cccc(N[C@@H](C(C)C)C2CC2)c1 ZINC000539732914 388773883 /nfs/dbraw/zinc/77/38/83/388773883.db2.gz AFWDJQIPJKICQY-WBMJQRKESA-N 0 0 247.382 4.241 20 0 BIADRN CC(C)[C@@H](C)Nc1ccc2cnn(C(C)C)c2c1 ZINC000539732916 388773839 /nfs/dbraw/zinc/77/38/39/388773839.db2.gz HIXFUZFFSRZQLB-GFCCVEGCSA-N 0 0 245.370 4.074 20 0 BIADRN CC(C)[C@H](C)Nc1ccc2cnn(C(C)C)c2c1 ZINC000539732919 324854911 /nfs/dbraw/zinc/85/49/11/324854911.db2.gz HIXFUZFFSRZQLB-LBPRGKRZSA-N 0 0 245.370 4.074 20 0 BIADRN CC[C@H](Nc1cccc([C@@H](C)OC)c1)C(C)C ZINC000539733412 324854938 /nfs/dbraw/zinc/85/49/38/324854938.db2.gz CYSGXDZZVAFPQD-DOMZBBRYSA-N 0 0 235.371 4.241 20 0 BIADRN CC[C@@H](Nc1cccc([C@@H](C)OC)c1)C(C)C ZINC000539733413 388774230 /nfs/dbraw/zinc/77/42/30/388774230.db2.gz CYSGXDZZVAFPQD-IUODEOHRSA-N 0 0 235.371 4.241 20 0 BIADRN CC[C@@H](Nc1cccc([C@H](C)OC)c1)C(C)C ZINC000539733414 324855036 /nfs/dbraw/zinc/85/50/36/324855036.db2.gz CYSGXDZZVAFPQD-SWLSCSKDSA-N 0 0 235.371 4.241 20 0 BIADRN CC[C@H](Nc1cccc([C@H](C)OC)c1)C(C)C ZINC000539733415 324855162 /nfs/dbraw/zinc/85/51/62/324855162.db2.gz CYSGXDZZVAFPQD-WFASDCNBSA-N 0 0 235.371 4.241 20 0 BIADRN CSCc1ccc(NC(C2CC2)C2CC2)cc1 ZINC000539735398 324855156 /nfs/dbraw/zinc/85/51/56/324855156.db2.gz YVOBPGZPHCDKSK-UHFFFAOYSA-N 0 0 247.407 4.150 20 0 BIADRN CO[C@H](C)c1cccc(N[C@H](C)C2CCCC2)c1 ZINC000539736169 324854946 /nfs/dbraw/zinc/85/49/46/324854946.db2.gz NGBOULJYJMEUNW-CHWSQXEVSA-N 0 0 247.382 4.385 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@H](C)C2CCCC2)c1 ZINC000539736171 388774219 /nfs/dbraw/zinc/77/42/19/388774219.db2.gz NGBOULJYJMEUNW-OLZOCXBDSA-N 0 0 247.382 4.385 20 0 BIADRN CO[C@H](C)c1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000539736172 388773756 /nfs/dbraw/zinc/77/37/56/388773756.db2.gz NGBOULJYJMEUNW-QWHCGFSZSA-N 0 0 247.382 4.385 20 0 BIADRN CO[C@@H](C)c1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000539736173 324854900 /nfs/dbraw/zinc/85/49/00/324854900.db2.gz NGBOULJYJMEUNW-STQMWFEESA-N 0 0 247.382 4.385 20 0 BIADRN CC[C@@H]1CCC[C@@H]1Nc1cccc([C@@H](C)OC)c1 ZINC000539736401 388773789 /nfs/dbraw/zinc/77/37/89/388773789.db2.gz XBSCXEIFXGSNLF-IOASZLSFSA-N 0 0 247.382 4.385 20 0 BIADRN CC[C@@H]1CCC[C@H]1Nc1cccc([C@H](C)OC)c1 ZINC000539736402 324855242 /nfs/dbraw/zinc/85/52/42/324855242.db2.gz XBSCXEIFXGSNLF-WOSRLPQWSA-N 0 0 247.382 4.385 20 0 BIADRN CC[C@@H]1CCC[C@H]1Nc1cccc([C@@H](C)OC)c1 ZINC000539736403 388774281 /nfs/dbraw/zinc/77/42/81/388774281.db2.gz XBSCXEIFXGSNLF-XJKCOSOUSA-N 0 0 247.382 4.385 20 0 BIADRN CC[C@@H]1CCC[C@@H]1Nc1cccc([C@H](C)OC)c1 ZINC000539736404 388773470 /nfs/dbraw/zinc/77/34/70/388773470.db2.gz XBSCXEIFXGSNLF-ZENOOKHLSA-N 0 0 247.382 4.385 20 0 BIADRN CCCCOc1cccc(Oc2cccnc2)c1 ZINC000539761229 388774012 /nfs/dbraw/zinc/77/40/12/388774012.db2.gz MWVIEOYWKRVKBF-UHFFFAOYSA-N 0 0 243.306 4.053 20 0 BIADRN CCCCS[C@@H](C)c1nc2ccccc2o1 ZINC000539764086 324856747 /nfs/dbraw/zinc/85/67/47/324856747.db2.gz ARJAHYCLDXBTNN-JTQLQIEISA-N 0 0 235.352 4.422 20 0 BIADRN CCCCS[C@H](C)c1nc2ccccc2o1 ZINC000539764090 324857013 /nfs/dbraw/zinc/85/70/13/324857013.db2.gz ARJAHYCLDXBTNN-SNVBAGLBSA-N 0 0 235.352 4.422 20 0 BIADRN CC(C)(C)Oc1ccccc1NC1CCCC1 ZINC000539932288 388789084 /nfs/dbraw/zinc/78/90/84/388789084.db2.gz RCOFUETXYHRNJT-UHFFFAOYSA-N 0 0 233.355 4.218 20 0 BIADRN Cc1cnc([C@@H](C)SCc2ccccc2C)o1 ZINC000539952253 388791335 /nfs/dbraw/zinc/79/13/35/388791335.db2.gz PIDJNEAGUYHENE-GFCCVEGCSA-N 0 0 247.363 4.286 20 0 BIADRN Cc1cnc([C@H](C)SCc2ccccc2C)o1 ZINC000539952254 324878909 /nfs/dbraw/zinc/87/89/09/324878909.db2.gz PIDJNEAGUYHENE-LBPRGKRZSA-N 0 0 247.363 4.286 20 0 BIADRN Cc1cnc([C@@H](C)SCc2ccc(C)cc2)o1 ZINC000539952754 388791305 /nfs/dbraw/zinc/79/13/05/388791305.db2.gz AFVDUURMZKYABE-GFCCVEGCSA-N 0 0 247.363 4.286 20 0 BIADRN Cc1cnc([C@H](C)SCc2ccc(C)cc2)o1 ZINC000539952755 324878777 /nfs/dbraw/zinc/87/87/77/324878777.db2.gz AFVDUURMZKYABE-LBPRGKRZSA-N 0 0 247.363 4.286 20 0 BIADRN CCc1ccc(N[C@H](C)c2ncc(C)o2)cc1C ZINC000539977281 388790731 /nfs/dbraw/zinc/79/07/31/388790731.db2.gz GVUJVAFMPSIOEZ-GFCCVEGCSA-N 0 0 244.338 4.027 20 0 BIADRN CCc1ccc(N[C@@H](C)c2ncc(C)o2)cc1C ZINC000539977282 324880602 /nfs/dbraw/zinc/88/06/02/324880602.db2.gz GVUJVAFMPSIOEZ-LBPRGKRZSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1cnc([C@@H](C)Sc2cccc(C)c2)o1 ZINC000539996292 324881228 /nfs/dbraw/zinc/88/12/28/324881228.db2.gz NYZDVIDGUINSMB-LLVKDONJSA-N 0 0 233.336 4.145 20 0 BIADRN Cc1cnc([C@H](C)Sc2cccc(C)c2)o1 ZINC000539996293 324881060 /nfs/dbraw/zinc/88/10/60/324881060.db2.gz NYZDVIDGUINSMB-NSHDSACASA-N 0 0 233.336 4.145 20 0 BIADRN Cc1ccc(C)c(SCc2ncccc2C)c1 ZINC000540051198 324883740 /nfs/dbraw/zinc/88/37/40/324883740.db2.gz CKHXXQMGANIEIS-UHFFFAOYSA-N 0 0 243.375 4.299 20 0 BIADRN Cc1ccc(SCc2ncccc2C)cc1C ZINC000540051434 388792751 /nfs/dbraw/zinc/79/27/51/388792751.db2.gz NCPBNRFAAHUJQG-UHFFFAOYSA-N 0 0 243.375 4.299 20 0 BIADRN CC[C@@H](C)CNc1ccc2cnn(C(C)C)c2c1 ZINC000540067146 324884866 /nfs/dbraw/zinc/88/48/66/324884866.db2.gz VNENYKZSSTXCCF-GFCCVEGCSA-N 0 0 245.370 4.075 20 0 BIADRN CC[C@H](C)CNc1ccc2cnn(C(C)C)c2c1 ZINC000540067147 388794594 /nfs/dbraw/zinc/79/45/94/388794594.db2.gz VNENYKZSSTXCCF-LBPRGKRZSA-N 0 0 245.370 4.075 20 0 BIADRN CC[C@@H](C)CNc1cccc(COC(C)C)c1 ZINC000540069429 324884564 /nfs/dbraw/zinc/88/45/64/324884564.db2.gz QQFCQCUNWDXLEE-CYBMUJFWSA-N 0 0 235.371 4.070 20 0 BIADRN CC[C@H](C)CNc1cccc(COC(C)C)c1 ZINC000540069430 324884875 /nfs/dbraw/zinc/88/48/75/324884875.db2.gz QQFCQCUNWDXLEE-ZDUSSCGKSA-N 0 0 235.371 4.070 20 0 BIADRN CC[C@@H]1CC[C@H](C)N1c1ccc2ccccc2n1 ZINC000540077794 388794852 /nfs/dbraw/zinc/79/48/52/388794852.db2.gz MPKGDZLZMSGPTB-GXTWGEPZSA-N 0 0 240.350 4.002 20 0 BIADRN CC[C@H]1CC[C@H](C)N1c1ccc2ccccc2n1 ZINC000540077797 324885814 /nfs/dbraw/zinc/88/58/14/324885814.db2.gz MPKGDZLZMSGPTB-JSGCOSHPSA-N 0 0 240.350 4.002 20 0 BIADRN CC[C@H]1CC[C@@H](C)N1c1ccc2ccccc2n1 ZINC000540077804 324885537 /nfs/dbraw/zinc/88/55/37/324885537.db2.gz MPKGDZLZMSGPTB-OCCSQVGLSA-N 0 0 240.350 4.002 20 0 BIADRN CC[C@@H]1CC[C@@H](C)N1c1ccc2ccccc2n1 ZINC000540077806 388795470 /nfs/dbraw/zinc/79/54/70/388795470.db2.gz MPKGDZLZMSGPTB-TZMCWYRMSA-N 0 0 240.350 4.002 20 0 BIADRN CCCCCS[C@H](C)c1cccnc1 ZINC000540345642 324896524 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241.419 4.144 20 0 BIADRN CCCCC[C@@H](NC(=O)[C@@H](C)CC)C(C)(C)C ZINC000734345334 584960867 /nfs/dbraw/zinc/96/08/67/584960867.db2.gz LVLGJUMAASRUFZ-QWHCGFSZSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@H](NC(=O)[C@@H](C)CC)C(C)(C)C ZINC000734345336 584960789 /nfs/dbraw/zinc/96/07/89/584960789.db2.gz LVLGJUMAASRUFZ-STQMWFEESA-N 0 0 241.419 4.144 20 0 BIADRN CCCc1ccc(NC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734388378 584961835 /nfs/dbraw/zinc/96/18/35/584961835.db2.gz GWWBRWVVEVBSLZ-GFCCVEGCSA-N 0 0 247.382 4.260 20 0 BIADRN CCCc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734388379 584962048 /nfs/dbraw/zinc/96/20/48/584962048.db2.gz GWWBRWVVEVBSLZ-LBPRGKRZSA-N 0 0 247.382 4.260 20 0 BIADRN CCCCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000734421641 584962554 /nfs/dbraw/zinc/96/25/54/584962554.db2.gz BYDPUEZIEVJOLN-CHWSQXEVSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000734421642 584962448 /nfs/dbraw/zinc/96/24/48/584962448.db2.gz BYDPUEZIEVJOLN-OLZOCXBDSA-N 0 0 241.419 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CCCCC[C@@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000734834775 584969137 /nfs/dbraw/zinc/96/91/37/584969137.db2.gz IFEQIOLVGRZFKM-LLVKDONJSA-N 0 0 247.386 4.043 20 0 BIADRN CCCCC[C@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000734834776 584969020 /nfs/dbraw/zinc/96/90/20/584969020.db2.gz IFEQIOLVGRZFKM-NSHDSACASA-N 0 0 247.386 4.043 20 0 BIADRN Cc1ccccc1[C@H](C)CC(=O)OCC(C)(C)C ZINC000734966461 584970564 /nfs/dbraw/zinc/97/05/64/584970564.db2.gz GBDBTMQZTSCHCQ-CYBMUJFWSA-N 0 0 248.366 4.078 20 0 BIADRN Cc1ccccc1[C@@H](C)CC(=O)OCC(C)(C)C ZINC000734966462 584970488 /nfs/dbraw/zinc/97/04/88/584970488.db2.gz GBDBTMQZTSCHCQ-ZDUSSCGKSA-N 0 0 248.366 4.078 20 0 BIADRN Cc1ccc(-c2noc(/C=C\C(C)(C)C)n2)cc1 ZINC000734976840 584970677 /nfs/dbraw/zinc/97/06/77/584970677.db2.gz RGARJHOKWIEXNL-KTKRTIGZSA-N 0 0 242.322 4.104 20 0 BIADRN Cc1ccc(-c2noc(/C=C/C(C)(C)C)n2)cc1 ZINC000734976841 584970674 /nfs/dbraw/zinc/97/06/74/584970674.db2.gz RGARJHOKWIEXNL-MDZDMXLPSA-N 0 0 242.322 4.104 20 0 BIADRN Cc1csc(SC[C@H](C)c2ccccc2)n1 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BIADRN CCCCCC[C@H](CC)C(=O)NCC(C)(C)C ZINC000735005577 643517148 /nfs/dbraw/zinc/51/71/48/643517148.db2.gz RQYBYFYRPSBVAA-ZDUSSCGKSA-N 0 0 241.419 4.145 20 0 BIADRN C[C@H](COC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000735144789 584973889 /nfs/dbraw/zinc/97/38/89/584973889.db2.gz JKQVUTWFAOSLOB-CHWSQXEVSA-N 0 0 248.366 4.016 20 0 BIADRN C[C@@H](C(=O)OC[C@@H](C)c1ccccc1)C(C)(C)C ZINC000735144792 584973859 /nfs/dbraw/zinc/97/38/59/584973859.db2.gz JKQVUTWFAOSLOB-OLZOCXBDSA-N 0 0 248.366 4.016 20 0 BIADRN C[C@@H](COC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000735144793 584973951 /nfs/dbraw/zinc/97/39/51/584973951.db2.gz JKQVUTWFAOSLOB-QWHCGFSZSA-N 0 0 248.366 4.016 20 0 BIADRN C[C@@H](COC(=O)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000735144795 584973912 /nfs/dbraw/zinc/97/39/12/584973912.db2.gz JKQVUTWFAOSLOB-STQMWFEESA-N 0 0 248.366 4.016 20 0 BIADRN CCC/C=C/C(=O)Oc1ccccc1C(C)C ZINC000735207653 584974431 /nfs/dbraw/zinc/97/44/31/584974431.db2.gz HWDJDODCVZYDAS-IZZDOVSWSA-N 0 0 232.323 4.072 20 0 BIADRN 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/nfs/dbraw/zinc/12/02/92/585120292.db2.gz UTNJWZNEXRJEHN-UHFFFAOYSA-N 0 0 227.398 4.042 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NC1CCCCC1 ZINC000741883032 585120372 /nfs/dbraw/zinc/12/03/72/585120372.db2.gz UAIGIDYPFFDASS-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@H](C)C(=O)NC1CCCCC1 ZINC000741883034 585120386 /nfs/dbraw/zinc/12/03/86/585120386.db2.gz UAIGIDYPFFDASS-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)c1ccccc1 ZINC000741890042 585120667 /nfs/dbraw/zinc/12/06/67/585120667.db2.gz WKUADSREWXYTHE-AWEZNQCLSA-N 0 0 247.382 4.256 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000741890043 585120624 /nfs/dbraw/zinc/12/06/24/585120624.db2.gz WKUADSREWXYTHE-CQSZACIVSA-N 0 0 247.382 4.256 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(CC)CCCC ZINC000741895645 585120665 /nfs/dbraw/zinc/12/06/65/585120665.db2.gz YOYRUQBYIAHVAY-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(CC)CCCC ZINC000741895647 585120689 /nfs/dbraw/zinc/12/06/89/585120689.db2.gz YOYRUQBYIAHVAY-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(CCC)CCC ZINC000741896743 585120721 /nfs/dbraw/zinc/12/07/21/585120721.db2.gz WMAZARNRRRCLAW-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(CCC)CCC ZINC000741896744 585120679 /nfs/dbraw/zinc/12/06/79/585120679.db2.gz WMAZARNRRRCLAW-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NCCC(C)(C)C ZINC000741897585 585120631 /nfs/dbraw/zinc/12/06/31/585120631.db2.gz GITGSDKQRSETCC-CYBMUJFWSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@H](C)C(=O)NCCC(C)(C)C ZINC000741897587 585120767 /nfs/dbraw/zinc/12/07/67/585120767.db2.gz GITGSDKQRSETCC-ZDUSSCGKSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@H](C)C(=O)NCCCC(C)C ZINC000741899019 585120636 /nfs/dbraw/zinc/12/06/36/585120636.db2.gz KOTXBDWNAZKVAN-AWEZNQCLSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NCCCC(C)C ZINC000741899021 585120684 /nfs/dbraw/zinc/12/06/84/585120684.db2.gz KOTXBDWNAZKVAN-CQSZACIVSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)CCC(C)C ZINC000741899150 585120646 /nfs/dbraw/zinc/12/06/46/585120646.db2.gz IZWOTNFIKSAQSS-AWEZNQCLSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)CCC(C)C ZINC000741899152 585120708 /nfs/dbraw/zinc/12/07/08/585120708.db2.gz IZWOTNFIKSAQSS-CQSZACIVSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(CC)CC(C)C ZINC000741899166 585120650 /nfs/dbraw/zinc/12/06/50/585120650.db2.gz JDNVJIBSVINSID-AWEZNQCLSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(CC)CC(C)C ZINC000741899168 585120671 /nfs/dbraw/zinc/12/06/71/585120671.db2.gz JDNVJIBSVINSID-CQSZACIVSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)[C@@H](C)C(C)C ZINC000741899793 585120643 /nfs/dbraw/zinc/12/06/43/585120643.db2.gz JJAFWMJCXAABOL-KBPBESRZSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(C)C ZINC000741899795 585120593 /nfs/dbraw/zinc/12/05/93/585120593.db2.gz JJAFWMJCXAABOL-KGLIPLIRSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)[C@H](C)C(C)C ZINC000741899796 585120652 /nfs/dbraw/zinc/12/06/52/585120652.db2.gz JJAFWMJCXAABOL-UONOGXRCSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)[C@H](C)C(C)C ZINC000741899798 585120642 /nfs/dbraw/zinc/12/06/42/585120642.db2.gz JJAFWMJCXAABOL-ZIAGYGMSSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)[C@@H](C)CCC ZINC000741904388 585120833 /nfs/dbraw/zinc/12/08/33/585120833.db2.gz YIYKAJCECXPION-KBPBESRZSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)[C@@H](C)CCC ZINC000741904390 585120796 /nfs/dbraw/zinc/12/07/96/585120796.db2.gz YIYKAJCECXPION-KGLIPLIRSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)[C@H](C)CCC ZINC000741904391 585120785 /nfs/dbraw/zinc/12/07/85/585120785.db2.gz YIYKAJCECXPION-UONOGXRCSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)[C@H](C)CCC ZINC000741904393 585120824 /nfs/dbraw/zinc/12/08/24/585120824.db2.gz YIYKAJCECXPION-ZIAGYGMSSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@@H](CC)CCC ZINC000741912169 585120790 /nfs/dbraw/zinc/12/07/90/585120790.db2.gz PLGOAJIVAOOHDD-KBPBESRZSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N[C@@H](CC)CCC ZINC000741912171 585120855 /nfs/dbraw/zinc/12/08/55/585120855.db2.gz PLGOAJIVAOOHDD-KGLIPLIRSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@H](CC)CCC ZINC000741912172 585120952 /nfs/dbraw/zinc/12/09/52/585120952.db2.gz PLGOAJIVAOOHDD-UONOGXRCSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N[C@H](CC)CCC ZINC000741912174 585120934 /nfs/dbraw/zinc/12/09/34/585120934.db2.gz PLGOAJIVAOOHDD-ZIAGYGMSSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@H](C)[C@H](C)CC ZINC000741914700 585120815 /nfs/dbraw/zinc/12/08/15/585120815.db2.gz VQCMCIVAPZTSBK-HZSPNIEDSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000741914702 585120939 /nfs/dbraw/zinc/12/09/39/585120939.db2.gz VQCMCIVAPZTSBK-IHRRRGAJSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@H](C)[C@@H](C)CC ZINC000741914703 585120945 /nfs/dbraw/zinc/12/09/45/585120945.db2.gz VQCMCIVAPZTSBK-MELADBBJSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@H](C)C(=O)N[C@@H](C)[C@H](C)CC ZINC000741914705 585120948 /nfs/dbraw/zinc/12/09/48/585120948.db2.gz VQCMCIVAPZTSBK-RDBSUJKOSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NC(C)(C)CCC ZINC000741916170 585120915 /nfs/dbraw/zinc/12/09/15/585120915.db2.gz VYZBVHYPHXBRAL-CYBMUJFWSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@H](C)C(=O)NC(C)(C)CCC ZINC000741916171 585120968 /nfs/dbraw/zinc/12/09/68/585120968.db2.gz VYZBVHYPHXBRAL-ZDUSSCGKSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NC(C)(C)C(C)C ZINC000741918611 585120966 /nfs/dbraw/zinc/12/09/66/585120966.db2.gz HXSAVTCRTIXAED-CYBMUJFWSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@H](C)C(=O)NC(C)(C)C(C)C ZINC000741918612 585120962 /nfs/dbraw/zinc/12/09/62/585120962.db2.gz HXSAVTCRTIXAED-ZDUSSCGKSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)CC(C)(C)C ZINC000741921321 585120963 /nfs/dbraw/zinc/12/09/63/585120963.db2.gz PXCFNADGNBSQLT-CYBMUJFWSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)CC(C)(C)C ZINC000741921323 585120792 /nfs/dbraw/zinc/12/07/92/585120792.db2.gz PXCFNADGNBSQLT-ZDUSSCGKSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000741921881 585120914 /nfs/dbraw/zinc/12/09/14/585120914.db2.gz WHQLDOUQKYYKOX-AWEZNQCLSA-N 0 0 241.419 4.238 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000741921882 585120917 /nfs/dbraw/zinc/12/09/17/585120917.db2.gz WHQLDOUQKYYKOX-CQSZACIVSA-N 0 0 241.419 4.238 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NC1(C)CCCC1 ZINC000741921905 585120812 /nfs/dbraw/zinc/12/08/12/585120812.db2.gz XRSIDXPUAJZMFC-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@H](C)C(=O)NC1(C)CCCC1 ZINC000741921906 585120877 /nfs/dbraw/zinc/12/08/77/585120877.db2.gz XRSIDXPUAJZMFC-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@@H](C)C(=O)NCC(CC)CC ZINC000741924940 585120884 /nfs/dbraw/zinc/12/08/84/585120884.db2.gz ODYCLHVYPHWFDG-CYBMUJFWSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@H](C)C(=O)NCC(CC)CC ZINC000741924941 585120978 /nfs/dbraw/zinc/12/09/78/585120978.db2.gz ODYCLHVYPHWFDG-ZDUSSCGKSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)C[C@@H](C)CC ZINC000741928748 585120870 /nfs/dbraw/zinc/12/08/70/585120870.db2.gz FAFFPSJDKAQICQ-KBPBESRZSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@H](C)C(=O)N(C)C[C@H](C)CC ZINC000741928749 585120886 /nfs/dbraw/zinc/12/08/86/585120886.db2.gz FAFFPSJDKAQICQ-KGLIPLIRSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)C[C@@H](C)CC ZINC000741928750 585120857 /nfs/dbraw/zinc/12/08/57/585120857.db2.gz FAFFPSJDKAQICQ-UONOGXRCSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)C[C@H](C)CC ZINC000741928751 585120860 /nfs/dbraw/zinc/12/08/60/585120860.db2.gz FAFFPSJDKAQICQ-ZIAGYGMSSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@@H](C)C(=O)N(C)C(C)(C)CC ZINC000741929529 585120835 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BIADRN Clc1nc(NCCC2CC2)cc2ccccc21 ZINC000742423083 585126178 /nfs/dbraw/zinc/12/61/78/585126178.db2.gz VUYXTFGYMNYJKW-UHFFFAOYSA-N 0 0 246.741 4.100 20 0 BIADRN Cc1ccc(SCCCCCCCO)cc1 ZINC000742447311 585126578 /nfs/dbraw/zinc/12/65/78/585126578.db2.gz GKQAOLQZHHYOAG-UHFFFAOYSA-N 0 0 238.396 4.030 20 0 BIADRN CCN(CC)C(=S)SCCC(C)(C)CC ZINC000742447366 585126654 /nfs/dbraw/zinc/12/66/54/585126654.db2.gz HPILCPLPZZYWJL-UHFFFAOYSA-N 0 0 247.473 4.173 20 0 BIADRN c1ccc2sc(SCC3CCC3)nc2c1 ZINC000742447570 585126510 /nfs/dbraw/zinc/12/65/10/585126510.db2.gz UTALFLOSMINRJQ-UHFFFAOYSA-N 0 0 235.377 4.189 20 0 BIADRN Cc1ccccc1SCCCCCCCO ZINC000742450723 585126547 /nfs/dbraw/zinc/12/65/47/585126547.db2.gz IPICYZKXVPYGKZ-UHFFFAOYSA-N 0 0 238.396 4.030 20 0 BIADRN CCC(C)(C)CCSc1nccn1C1CC1 ZINC000742450753 585126612 /nfs/dbraw/zinc/12/66/12/585126612.db2.gz JGECXCOJSVUJIJ-UHFFFAOYSA-N 0 0 238.400 4.136 20 0 BIADRN OCCCCCCCSCC1CCCCC1 ZINC000742451049 585126576 /nfs/dbraw/zinc/12/65/76/585126576.db2.gz PYTNHGJHXIZKAY-UHFFFAOYSA-N 0 0 244.444 4.243 20 0 BIADRN Cc1cccc(SCCCCCCCO)c1 ZINC000742451134 585126529 /nfs/dbraw/zinc/12/65/29/585126529.db2.gz SJKFDYXVMXGAJQ-UHFFFAOYSA-N 0 0 238.396 4.030 20 0 BIADRN CCCOC(=O)[C@@H](C)SC(CCC)CCC ZINC000742451378 585126653 /nfs/dbraw/zinc/12/66/53/585126653.db2.gz XSYXHUYCIZBGAA-LLVKDONJSA-N 0 0 246.416 4.030 20 0 BIADRN CCCOC(=O)[C@H](C)SC(CCC)CCC ZINC000742451379 585126482 /nfs/dbraw/zinc/12/64/82/585126482.db2.gz XSYXHUYCIZBGAA-NSHDSACASA-N 0 0 246.416 4.030 20 0 BIADRN CCn1ccnc1S[C@H](C)c1cccc(C)c1 ZINC000742452165 585126552 /nfs/dbraw/zinc/12/65/52/585126552.db2.gz IMYBJRPRMLFVTQ-GFCCVEGCSA-N 0 0 246.379 4.065 20 0 BIADRN CCn1ccnc1S[C@@H](C)c1cccc(C)c1 ZINC000742452166 585126469 /nfs/dbraw/zinc/12/64/69/585126469.db2.gz IMYBJRPRMLFVTQ-LBPRGKRZSA-N 0 0 246.379 4.065 20 0 BIADRN COc1ccccc1[C@@H](C)SC/C=C\Cl ZINC000742454197 585126572 /nfs/dbraw/zinc/12/65/72/585126572.db2.gz APJRUWTXLSDMGQ-DAGBOUIGSA-N 0 0 242.771 4.242 20 0 BIADRN COc1ccccc1[C@H](C)SC/C=C\Cl ZINC000742454199 585126544 /nfs/dbraw/zinc/12/65/44/585126544.db2.gz APJRUWTXLSDMGQ-NVDWLVSRSA-N 0 0 242.771 4.242 20 0 BIADRN COc1ccccc1[C@@H](C)SC/C=C/Cl ZINC000742454201 585126603 /nfs/dbraw/zinc/12/66/03/585126603.db2.gz APJRUWTXLSDMGQ-VHODGJRUSA-N 0 0 242.771 4.242 20 0 BIADRN COc1ccccc1[C@H](C)SC/C=C/Cl ZINC000742454202 585126652 /nfs/dbraw/zinc/12/66/52/585126652.db2.gz APJRUWTXLSDMGQ-YVFTVSHDSA-N 0 0 242.771 4.242 20 0 BIADRN CC(C)c1cnc(CS[C@@H](C)C(C)C)o1 ZINC000742460391 585126817 /nfs/dbraw/zinc/12/68/17/585126817.db2.gz ITMWBHMWPIQQER-JTQLQIEISA-N 0 0 227.373 4.076 20 0 BIADRN CC(C)c1cnc(CS[C@H](C)C(C)C)o1 ZINC000742460392 585126721 /nfs/dbraw/zinc/12/67/21/585126721.db2.gz ITMWBHMWPIQQER-SNVBAGLBSA-N 0 0 227.373 4.076 20 0 BIADRN Cc1ccc(OCCS[C@H](C)C(C)C)cc1 ZINC000742460399 582671619 /nfs/dbraw/zinc/67/16/19/582671619.db2.gz JGAPYNSOOHFRNS-CYBMUJFWSA-N 0 0 238.396 4.152 20 0 BIADRN Cc1ccc(OCCS[C@@H](C)C(C)C)cc1 ZINC000742460400 582671696 /nfs/dbraw/zinc/67/16/96/582671696.db2.gz JGAPYNSOOHFRNS-ZDUSSCGKSA-N 0 0 238.396 4.152 20 0 BIADRN Cc1ccccc1OCCS[C@H](C)C(C)C ZINC000742460550 582671657 /nfs/dbraw/zinc/67/16/57/582671657.db2.gz PWFPNLLGQBBHIR-CYBMUJFWSA-N 0 0 238.396 4.152 20 0 BIADRN Cc1ccccc1OCCS[C@@H](C)C(C)C ZINC000742460551 582671571 /nfs/dbraw/zinc/67/15/71/582671571.db2.gz PWFPNLLGQBBHIR-ZDUSSCGKSA-N 0 0 238.396 4.152 20 0 BIADRN C/C(=C/C(=O)Nc1cc(C)ccc1C)C(C)(C)C ZINC000742462444 585126735 /nfs/dbraw/zinc/12/67/35/585126735.db2.gz BWRAHYYJBBVWHD-RAXLEYEMSA-N 0 0 245.366 4.234 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)N[C@@H](C)CC ZINC000742463235 585126665 /nfs/dbraw/zinc/12/66/65/585126665.db2.gz PIVSVIWRLLGZAY-DZGCQCFKSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)N[C@H](C)CC ZINC000742463241 585126698 /nfs/dbraw/zinc/12/66/98/585126698.db2.gz PIVSVIWRLLGZAY-HIFRSBDPSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)N[C@H](C)CC ZINC000742463242 585126694 /nfs/dbraw/zinc/12/66/94/585126694.db2.gz PIVSVIWRLLGZAY-UKRRQHHQSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)N[C@@H](C)CC ZINC000742463247 585126783 /nfs/dbraw/zinc/12/67/83/585126783.db2.gz PIVSVIWRLLGZAY-ZFWWWQNUSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@](C)(CCC)C(=O)NC(C)C ZINC000742463933 585126758 /nfs/dbraw/zinc/12/67/58/585126758.db2.gz VADGLMCGMYELOO-HNNXBMFYSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@](C)(CCC)C(=O)NC(C)C ZINC000742463934 585126778 /nfs/dbraw/zinc/12/67/78/585126778.db2.gz VADGLMCGMYELOO-OAHLLOKOSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC1CCCCC1 ZINC000742464423 585126763 /nfs/dbraw/zinc/12/67/63/585126763.db2.gz FZZDKFFPWKTMKG-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC1CCCCC1 ZINC000742464424 585126860 /nfs/dbraw/zinc/12/68/60/585126860.db2.gz FZZDKFFPWKTMKG-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN C/C(=C/C(=O)Nc1cccc(C)c1C)C(C)(C)C ZINC000742464682 585126807 /nfs/dbraw/zinc/12/68/07/585126807.db2.gz MVJYXLQZNRGHNO-BENRWUELSA-N 0 0 245.366 4.234 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(C)c(C)c1)C(C)(C)C ZINC000742464732 582671707 /nfs/dbraw/zinc/67/17/07/582671707.db2.gz OKSJJLCFUVPLLC-RAXLEYEMSA-N 0 0 245.366 4.234 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(C)cc1C)C(C)(C)C ZINC000742464900 585126705 /nfs/dbraw/zinc/12/67/05/585126705.db2.gz SICBPGNAXJKQGI-RAXLEYEMSA-N 0 0 245.366 4.234 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(CCC)CCC ZINC000742466071 585126920 /nfs/dbraw/zinc/12/69/20/585126920.db2.gz QBJOFZMHGVDZBP-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(CCC)CCC ZINC000742466072 585127037 /nfs/dbraw/zinc/12/70/37/585127037.db2.gz QBJOFZMHGVDZBP-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)NCCCC ZINC000742466489 585126923 /nfs/dbraw/zinc/12/69/23/585126923.db2.gz ODFYYDSNWGUDIV-HNNXBMFYSA-N 0 0 241.419 4.289 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)NCCCC ZINC000742466490 585126980 /nfs/dbraw/zinc/12/69/80/585126980.db2.gz ODFYYDSNWGUDIV-OAHLLOKOSA-N 0 0 241.419 4.289 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)N(CC)CC ZINC000742466803 585126973 /nfs/dbraw/zinc/12/69/73/585126973.db2.gz ZFBBYBWZYHYUGD-HNNXBMFYSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)N(CC)CC ZINC000742466805 585127032 /nfs/dbraw/zinc/12/70/32/585127032.db2.gz ZFBBYBWZYHYUGD-OAHLLOKOSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@](C)(CCC)C(=O)NC1CC1 ZINC000742468363 585126906 /nfs/dbraw/zinc/12/69/06/585126906.db2.gz SPVJOJDQTRQXSR-HNNXBMFYSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@@](C)(CCC)C(=O)NC1CC1 ZINC000742468366 585126894 /nfs/dbraw/zinc/12/68/94/585126894.db2.gz SPVJOJDQTRQXSR-OAHLLOKOSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@](C)(CCC)C(=O)NCCC ZINC000742468487 585126909 /nfs/dbraw/zinc/12/69/09/585126909.db2.gz HVRIRUZFUNWAJY-HNNXBMFYSA-N 0 0 241.419 4.289 20 0 BIADRN CCCCCC[C@@](C)(CCC)C(=O)NCCC ZINC000742468488 585127080 /nfs/dbraw/zinc/12/70/80/585127080.db2.gz HVRIRUZFUNWAJY-OAHLLOKOSA-N 0 0 241.419 4.289 20 0 BIADRN CCc1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000742468830 585127054 /nfs/dbraw/zinc/12/70/54/585127054.db2.gz KXWIZTXTIZCRIM-BENRWUELSA-N 0 0 245.366 4.180 20 0 BIADRN CCc1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000742468831 585126875 /nfs/dbraw/zinc/12/68/75/585126875.db2.gz KXWIZTXTIZCRIM-ZRDIBKRKSA-N 0 0 245.366 4.180 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(CC)CCCC ZINC000742469615 585127001 /nfs/dbraw/zinc/12/70/01/585127001.db2.gz DUIZRDFRZZERKS-AWEZNQCLSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(CC)CCCC ZINC000742469616 585126960 /nfs/dbraw/zinc/12/69/60/585126960.db2.gz DUIZRDFRZZERKS-CQSZACIVSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)NCC(C)C ZINC000742469737 585127067 /nfs/dbraw/zinc/12/70/67/585127067.db2.gz GNRNXYJVROHOGT-HNNXBMFYSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)NCC(C)C ZINC000742469738 585126919 /nfs/dbraw/zinc/12/69/19/585126919.db2.gz GNRNXYJVROHOGT-OAHLLOKOSA-N 0 0 241.419 4.145 20 0 BIADRN C/C(=C\C(=O)Nc1ccc(C)c(F)c1)C(C)(C)C ZINC000742469767 585127022 /nfs/dbraw/zinc/12/70/22/585127022.db2.gz IDYHASXRNDUMAB-DHZHZOJOSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(C)c(F)c1)C(C)(C)C ZINC000742469768 585126953 /nfs/dbraw/zinc/12/69/53/585126953.db2.gz IDYHASXRNDUMAB-FLIBITNWSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C\C(=O)Nc1cc(F)ccc1C)C(C)(C)C ZINC000742470012 585126995 /nfs/dbraw/zinc/12/69/95/585126995.db2.gz NSASIGCIZDLCHL-DHZHZOJOSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C/C(=O)Nc1cc(F)ccc1C)C(C)(C)C ZINC000742470013 585127017 /nfs/dbraw/zinc/12/70/17/585127017.db2.gz NSASIGCIZDLCHL-FLIBITNWSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C/C(=O)Nc1cc(C)cc(C)c1)C(C)(C)C ZINC000742470018 585126928 /nfs/dbraw/zinc/12/69/28/585126928.db2.gz NYVHOWJFRWWBMJ-RAXLEYEMSA-N 0 0 245.366 4.234 20 0 BIADRN CCc1ccc(NC(=O)/C=C(/C)C(C)(C)C)cc1 ZINC000742470613 585126965 /nfs/dbraw/zinc/12/69/65/585126965.db2.gz WPASGOPMYMXVRH-QXMHVHEDSA-N 0 0 245.366 4.180 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(F)cc1C)C(C)(C)C ZINC000742474436 585126937 /nfs/dbraw/zinc/12/69/37/585126937.db2.gz IACFTOVBXXANLK-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C\C(=O)Nc1ccc(F)cc1C)C(C)(C)C ZINC000742474437 585126972 /nfs/dbraw/zinc/12/69/72/585126972.db2.gz IACFTOVBXXANLK-PKNBQFBNSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(C)cc1F)C(C)(C)C ZINC000742495245 585127243 /nfs/dbraw/zinc/12/72/43/585127243.db2.gz BOVRIRZMYXFOGZ-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C/C(=O)Nc1cc(C)ccc1F)C(C)(C)C ZINC000742496528 585127082 /nfs/dbraw/zinc/12/70/82/585127082.db2.gz SHMHMHGRFQWYQK-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN Cc1cc(OC(=O)CC2CCC2)ccc1C(C)C ZINC000742496956 585127275 /nfs/dbraw/zinc/12/72/75/585127275.db2.gz GHRKIVGEKTWZDY-UHFFFAOYSA-N 0 0 246.350 4.214 20 0 BIADRN CCc1ccccc1NC(=O)/C=C(/C)C(C)(C)C ZINC000742511613 585127508 /nfs/dbraw/zinc/12/75/08/585127508.db2.gz TUQLLFRDCKJHBH-QXMHVHEDSA-N 0 0 245.366 4.180 20 0 BIADRN CCCCCCNC(=O)CCCC1CCCC1 ZINC000742511878 585127371 /nfs/dbraw/zinc/12/73/71/585127371.db2.gz TVZIWQBOZWYLRU-UHFFFAOYSA-N 0 0 239.403 4.043 20 0 BIADRN CCCCC[C@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742521778 585127567 /nfs/dbraw/zinc/12/75/67/585127567.db2.gz ZVVLNWJDGNIOMH-HHQWOOOKSA-N 0 0 239.403 4.064 20 0 BIADRN CCCCC[C@@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742521780 585127541 /nfs/dbraw/zinc/12/75/41/585127541.db2.gz ZVVLNWJDGNIOMH-XZHRJIJLSA-N 0 0 239.403 4.064 20 0 BIADRN CCCCC[C@@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742521781 585127370 /nfs/dbraw/zinc/12/73/70/585127370.db2.gz ZVVLNWJDGNIOMH-YLGBQOPLSA-N 0 0 239.403 4.064 20 0 BIADRN CCCCC[C@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742521782 585127300 /nfs/dbraw/zinc/12/73/00/585127300.db2.gz ZVVLNWJDGNIOMH-YLSINNKHSA-N 0 0 239.403 4.064 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)[C@@H](C)C(C)C ZINC000742522798 585127680 /nfs/dbraw/zinc/12/76/80/585127680.db2.gz GCHJXZWFSDBINS-KBPBESRZSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)[C@@H](C)C(C)C ZINC000742522799 585127597 /nfs/dbraw/zinc/12/75/97/585127597.db2.gz GCHJXZWFSDBINS-KGLIPLIRSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)[C@H](C)C(C)C ZINC000742522800 585127219 /nfs/dbraw/zinc/12/72/19/585127219.db2.gz GCHJXZWFSDBINS-UONOGXRCSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)[C@H](C)C(C)C ZINC000742522801 585127284 /nfs/dbraw/zinc/12/72/84/585127284.db2.gz GCHJXZWFSDBINS-ZIAGYGMSSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(CC)CC(C)C ZINC000742526360 585127682 /nfs/dbraw/zinc/12/76/82/585127682.db2.gz BQFQCZJZDPTEIX-AWEZNQCLSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(CC)CC(C)C ZINC000742526362 585127548 /nfs/dbraw/zinc/12/75/48/585127548.db2.gz BQFQCZJZDPTEIX-CQSZACIVSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCCC[C@](C)(CCC)C(=O)N(C)CC ZINC000742526407 585127685 /nfs/dbraw/zinc/12/76/85/585127685.db2.gz CBYQKBTUMNLBLC-HNNXBMFYSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@](C)(CCC)C(=O)N(C)CC ZINC000742526415 585127630 /nfs/dbraw/zinc/12/76/30/585127630.db2.gz CBYQKBTUMNLBLC-OAHLLOKOSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)CCC(C)C ZINC000742528660 585127659 /nfs/dbraw/zinc/12/76/59/585127659.db2.gz XMGBMJYFWQUHIZ-AWEZNQCLSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)CCC(C)C ZINC000742528661 585127681 /nfs/dbraw/zinc/12/76/81/585127681.db2.gz XMGBMJYFWQUHIZ-CQSZACIVSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NCCC(C)(C)C ZINC000742535724 585127814 /nfs/dbraw/zinc/12/78/14/585127814.db2.gz CONGDJUYSNQYQU-CYBMUJFWSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCC[C@H](C)CC(=O)NCCC(C)(C)C ZINC000742535725 585127796 /nfs/dbraw/zinc/12/77/96/585127796.db2.gz CONGDJUYSNQYQU-ZDUSSCGKSA-N 0 0 241.419 4.145 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)[C@@H](C)CCC ZINC000742539078 585127826 /nfs/dbraw/zinc/12/78/26/585127826.db2.gz MLZOJGXRSSKGMV-KBPBESRZSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)[C@@H](C)CCC ZINC000742539079 585127913 /nfs/dbraw/zinc/12/79/13/585127913.db2.gz MLZOJGXRSSKGMV-KGLIPLIRSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)[C@H](C)CCC ZINC000742539080 585127809 /nfs/dbraw/zinc/12/78/09/585127809.db2.gz MLZOJGXRSSKGMV-UONOGXRCSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)[C@H](C)CCC ZINC000742539081 585127723 /nfs/dbraw/zinc/12/77/23/585127723.db2.gz MLZOJGXRSSKGMV-ZIAGYGMSSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@H](C)[C@H](C)CC ZINC000742581089 585128464 /nfs/dbraw/zinc/12/84/64/585128464.db2.gz LOIFRJPGRJCENG-BFHYXJOUSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@@H](C)[C@@H](C)CC ZINC000742581090 585128524 /nfs/dbraw/zinc/12/85/24/585128524.db2.gz LOIFRJPGRJCENG-IHRRRGAJSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@H](C)[C@@H](C)CC ZINC000742581091 585128407 /nfs/dbraw/zinc/12/84/07/585128407.db2.gz LOIFRJPGRJCENG-MELADBBJSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@@H](C)[C@H](C)CC ZINC000742581092 585128547 /nfs/dbraw/zinc/12/85/47/585128547.db2.gz LOIFRJPGRJCENG-MJBXVCDLSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC1(C)CCCC1 ZINC000742585192 585128541 /nfs/dbraw/zinc/12/85/41/585128541.db2.gz HBIMDBQTSDIXOD-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC1(C)CCCC1 ZINC000742585195 585128422 /nfs/dbraw/zinc/12/84/22/585128422.db2.gz HBIMDBQTSDIXOD-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@@H](CC)CCC ZINC000742594383 585128556 /nfs/dbraw/zinc/12/85/56/585128556.db2.gz ZZOMAMFAQVKKAV-KBPBESRZSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N[C@@H](CC)CCC ZINC000742594385 585128461 /nfs/dbraw/zinc/12/84/61/585128461.db2.gz ZZOMAMFAQVKKAV-KGLIPLIRSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@H](C)CC(=O)N[C@H](CC)CCC ZINC000742594386 585128542 /nfs/dbraw/zinc/12/85/42/585128542.db2.gz ZZOMAMFAQVKKAV-UONOGXRCSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N[C@H](CC)CCC ZINC000742594388 585128590 /nfs/dbraw/zinc/12/85/90/585128590.db2.gz ZZOMAMFAQVKKAV-ZIAGYGMSSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)N(C)CCC ZINC000742595918 585128690 /nfs/dbraw/zinc/12/86/90/585128690.db2.gz MJKAKDVMBBJSGD-HNNXBMFYSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)N(C)CCC ZINC000742595920 585128794 /nfs/dbraw/zinc/12/87/94/585128794.db2.gz MJKAKDVMBBJSGD-OAHLLOKOSA-N 0 0 241.419 4.242 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)CCC ZINC000742598553 585128696 /nfs/dbraw/zinc/12/86/96/585128696.db2.gz CHGISMVXDNSGCJ-CYBMUJFWSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC(C)(C)CCC ZINC000742598555 585128833 /nfs/dbraw/zinc/12/88/33/585128833.db2.gz CHGISMVXDNSGCJ-ZDUSSCGKSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)CC(C)(C)C ZINC000742622822 585129009 /nfs/dbraw/zinc/12/90/09/585129009.db2.gz XUJKJNCGVPNOBZ-CYBMUJFWSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)CC(C)(C)C ZINC000742622823 585128959 /nfs/dbraw/zinc/12/89/59/585128959.db2.gz XUJKJNCGVPNOBZ-ZDUSSCGKSA-N 0 0 241.419 4.097 20 0 BIADRN C/C(=C/C(=O)Nc1ccc(F)c(C)c1)C(C)(C)C ZINC000742631704 585129136 /nfs/dbraw/zinc/12/91/36/585129136.db2.gz OVTSQORZHGPQNZ-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C\C(=O)Nc1ccc(F)c(C)c1)C(C)(C)C ZINC000742631705 585129224 /nfs/dbraw/zinc/12/92/24/585129224.db2.gz OVTSQORZHGPQNZ-PKNBQFBNSA-N 0 0 249.329 4.065 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)C(C)C ZINC000742631839 585129145 /nfs/dbraw/zinc/12/91/45/585129145.db2.gz SMVGNZVOZOAGIG-CYBMUJFWSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC(C)(C)C(C)C ZINC000742631840 585129084 /nfs/dbraw/zinc/12/90/84/585129084.db2.gz SMVGNZVOZOAGIG-ZDUSSCGKSA-N 0 0 241.419 4.144 20 0 BIADRN CCCCCC[C@](C)(CC)C(=O)NC1CCC1 ZINC000742646647 585129320 /nfs/dbraw/zinc/12/93/20/585129320.db2.gz ACHWBVPJTUBLJZ-HNNXBMFYSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@@](C)(CC)C(=O)NC1CCC1 ZINC000742646648 585129455 /nfs/dbraw/zinc/12/94/55/585129455.db2.gz ACHWBVPJTUBLJZ-OAHLLOKOSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)C[C@@H](C)CC ZINC000742662162 585129428 /nfs/dbraw/zinc/12/94/28/585129428.db2.gz XCLXUMFWROPYQC-KBPBESRZSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@H](C)CC(=O)N(C)C[C@H](C)CC ZINC000742662163 585129354 /nfs/dbraw/zinc/12/93/54/585129354.db2.gz XCLXUMFWROPYQC-KGLIPLIRSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)C[C@@H](C)CC ZINC000742662164 585129306 /nfs/dbraw/zinc/12/93/06/585129306.db2.gz XCLXUMFWROPYQC-UONOGXRCSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)N(C)C[C@H](C)CC ZINC000742662165 585129385 /nfs/dbraw/zinc/12/93/85/585129385.db2.gz XCLXUMFWROPYQC-ZIAGYGMSSA-N 0 0 241.419 4.097 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC(C)(CC)CC ZINC000742673466 585129924 /nfs/dbraw/zinc/12/99/24/585129924.db2.gz ZDQQTAURQOZOJA-CYBMUJFWSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC(C)(CC)CC ZINC000742673467 585129967 /nfs/dbraw/zinc/12/99/67/585129967.db2.gz ZDQQTAURQOZOJA-ZDUSSCGKSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCC[C@@H](C)CC(=O)Nc1ccsc1 ZINC000742682808 585129819 /nfs/dbraw/zinc/12/98/19/585129819.db2.gz BRKYLNZXCFJGGO-LLVKDONJSA-N 0 0 239.384 4.293 20 0 BIADRN CCCCC[C@H](C)CC(=O)Nc1ccsc1 ZINC000742682813 585129892 /nfs/dbraw/zinc/12/98/92/585129892.db2.gz BRKYLNZXCFJGGO-NSHDSACASA-N 0 0 239.384 4.293 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC[C@H](C)C(C)C ZINC000742694017 585130070 /nfs/dbraw/zinc/13/00/70/585130070.db2.gz AMGFUOGUMAKHFJ-KBPBESRZSA-N 0 0 241.419 4.001 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC[C@H](C)C(C)C ZINC000742694018 585130053 /nfs/dbraw/zinc/13/00/53/585130053.db2.gz AMGFUOGUMAKHFJ-KGLIPLIRSA-N 0 0 241.419 4.001 20 0 BIADRN CCCCC[C@H](C)CC(=O)NC[C@@H](C)C(C)C ZINC000742694019 585130051 /nfs/dbraw/zinc/13/00/51/585130051.db2.gz AMGFUOGUMAKHFJ-UONOGXRCSA-N 0 0 241.419 4.001 20 0 BIADRN CCCCC[C@@H](C)CC(=O)NC[C@@H](C)C(C)C ZINC000742694020 585130089 /nfs/dbraw/zinc/13/00/89/585130089.db2.gz AMGFUOGUMAKHFJ-ZIAGYGMSSA-N 0 0 241.419 4.001 20 0 BIADRN CCC(CC)(CC)NC(=O)/C=C(/C)C(C)(C)C ZINC000742701334 585130304 /nfs/dbraw/zinc/13/03/04/585130304.db2.gz RPMBASXVGUXHHG-QXMHVHEDSA-N 0 0 239.403 4.064 20 0 BIADRN CCC(CC)(CC)NC(=O)/C=C(\C)C(C)(C)C ZINC000742701335 585130391 /nfs/dbraw/zinc/13/03/91/585130391.db2.gz RPMBASXVGUXHHG-VAWYXSNFSA-N 0 0 239.403 4.064 20 0 BIADRN CC(C)=CCSCCOc1ccc(C)cc1 ZINC000742796641 585131463 /nfs/dbraw/zinc/13/14/63/585131463.db2.gz SBNDMHLRSRBZQJ-UHFFFAOYSA-N 0 0 236.380 4.073 20 0 BIADRN c1sc(Cc2ccccc2)nc1C1CCCC1 ZINC000743051608 585133519 /nfs/dbraw/zinc/13/35/19/585133519.db2.gz GWUICNZLKKDHMO-UHFFFAOYSA-N 0 0 243.375 4.392 20 0 BIADRN CCCCCC[C@H](C)c1nc(C2CC2)no1 ZINC000743275500 585134507 /nfs/dbraw/zinc/13/45/07/585134507.db2.gz PYMJTYNGLZPNHU-JTQLQIEISA-N 0 0 222.332 4.021 20 0 BIADRN CCCCCC[C@@H](C)c1nc(C2CC2)no1 ZINC000743275501 585134543 /nfs/dbraw/zinc/13/45/43/585134543.db2.gz PYMJTYNGLZPNHU-SNVBAGLBSA-N 0 0 222.332 4.021 20 0 BIADRN CCCCC[C@@H](C)Cc1nc(C(C)(C)C)no1 ZINC000743275527 585134466 /nfs/dbraw/zinc/13/44/66/585134466.db2.gz QQTPTVKEFJZUOU-LLVKDONJSA-N 0 0 238.375 4.126 20 0 BIADRN CCCCC[C@H](C)Cc1nc(C(C)(C)C)no1 ZINC000743275528 585134459 /nfs/dbraw/zinc/13/44/59/585134459.db2.gz QQTPTVKEFJZUOU-NSHDSACASA-N 0 0 238.375 4.126 20 0 BIADRN CCCCCC[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000743275531 585134510 /nfs/dbraw/zinc/13/45/10/585134510.db2.gz QSOSCFHMGKGNPX-LLVKDONJSA-N 0 0 238.375 4.441 20 0 BIADRN CCCCCC[C@H](C)c1nc(C(C)(C)C)no1 ZINC000743275532 585134475 /nfs/dbraw/zinc/13/44/75/585134475.db2.gz QSOSCFHMGKGNPX-NSHDSACASA-N 0 0 238.375 4.441 20 0 BIADRN CC(C)(C)c1noc(C2CCCCCCC2)n1 ZINC000743275657 585134447 /nfs/dbraw/zinc/13/44/47/585134447.db2.gz RWXIEMQTGUHJAS-UHFFFAOYSA-N 0 0 236.359 4.195 20 0 BIADRN CCCCCC[C@@H](C)c1nc(CC2CC2)no1 ZINC000743276098 585134376 /nfs/dbraw/zinc/13/43/76/585134376.db2.gz IPIHICLUBLVNFB-LLVKDONJSA-N 0 0 236.359 4.096 20 0 BIADRN CCCCCC[C@H](C)c1nc(CC2CC2)no1 ZINC000743276099 585134497 /nfs/dbraw/zinc/13/44/97/585134497.db2.gz IPIHICLUBLVNFB-NSHDSACASA-N 0 0 236.359 4.096 20 0 BIADRN CC(C)Cc1noc(C2CCCCCCC2)n1 ZINC000743276436 585134450 /nfs/dbraw/zinc/13/44/50/585134450.db2.gz MFYXNHZFXQFGBT-UHFFFAOYSA-N 0 0 236.359 4.096 20 0 BIADRN CCC(CC)SCc1cccc(Cl)n1 ZINC000743453209 585137336 /nfs/dbraw/zinc/13/73/36/585137336.db2.gz PDBCSANDUASHAP-UHFFFAOYSA-N 0 0 229.776 4.157 20 0 BIADRN Cc1ccc(C(C)C)c(OC(=O)CC2CCC2)c1 ZINC000744017262 585141969 /nfs/dbraw/zinc/14/19/69/585141969.db2.gz BJAIQGHQGQGKBC-UHFFFAOYSA-N 0 0 246.350 4.214 20 0 BIADRN CC(C)(C)c1ccc(OC(=O)CC2CCC2)cc1 ZINC000744020477 585142208 /nfs/dbraw/zinc/14/22/08/585142208.db2.gz XZPQPIJIBPMPOJ-UHFFFAOYSA-N 0 0 246.350 4.080 20 0 BIADRN Cc1ccc(C(C)C)cc1OC(=O)CC1CCC1 ZINC000744020743 585142174 /nfs/dbraw/zinc/14/21/74/585142174.db2.gz FXSDHHHTRVTANI-UHFFFAOYSA-N 0 0 246.350 4.214 20 0 BIADRN CC[C@H](C)c1ccc(OC(=O)/C=C/C2CC2)cc1 ZINC000744021016 585142325 /nfs/dbraw/zinc/14/23/25/585142325.db2.gz ODIDYHYRHMGCBI-BCMYLCSRSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@H](C)c1ccc(OC(=O)/C=C\C2CC2)cc1 ZINC000744021017 585142157 /nfs/dbraw/zinc/14/21/57/585142157.db2.gz ODIDYHYRHMGCBI-DSDFTUOUSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@@H](C)c1ccc(OC(=O)/C=C\C2CC2)cc1 ZINC000744021018 585142057 /nfs/dbraw/zinc/14/20/57/585142057.db2.gz ODIDYHYRHMGCBI-HUMZTAOYSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@@H](C)c1ccc(OC(=O)/C=C/C2CC2)cc1 ZINC000744021019 585142047 /nfs/dbraw/zinc/14/20/47/585142047.db2.gz ODIDYHYRHMGCBI-IGEMTJHASA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@@H](C)c1ccc(OC(=O)CC2CCC2)cc1 ZINC000744021281 585142187 /nfs/dbraw/zinc/14/21/87/585142187.db2.gz YSCOILNCGMPACE-GFCCVEGCSA-N 0 0 246.350 4.296 20 0 BIADRN CC[C@H](C)c1ccc(OC(=O)CC2CCC2)cc1 ZINC000744021282 585142209 /nfs/dbraw/zinc/14/22/09/585142209.db2.gz YSCOILNCGMPACE-LBPRGKRZSA-N 0 0 246.350 4.296 20 0 BIADRN CC(C)(C)c1cccc(OC(=O)CC2CCC2)c1 ZINC000744021298 585142207 /nfs/dbraw/zinc/14/22/07/585142207.db2.gz ZHMIIDFSXPIDAV-UHFFFAOYSA-N 0 0 246.350 4.080 20 0 BIADRN CC[C@@H](C)c1ccccc1OC(=O)/C=C/C1CC1 ZINC000744022657 585142370 /nfs/dbraw/zinc/14/23/70/585142370.db2.gz MBNACEFOTMLWOP-HCRIHEDKSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@H](C)c1ccccc1OC(=O)/C=C/C1CC1 ZINC000744022658 585142182 /nfs/dbraw/zinc/14/21/82/585142182.db2.gz MBNACEFOTMLWOP-IIANPFDCSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@@H](C)c1ccccc1OC(=O)/C=C\C1CC1 ZINC000744022659 585142172 /nfs/dbraw/zinc/14/21/72/585142172.db2.gz MBNACEFOTMLWOP-NLYDNYMLSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@H](C)c1ccccc1OC(=O)/C=C\C1CC1 ZINC000744022660 585142313 /nfs/dbraw/zinc/14/23/13/585142313.db2.gz MBNACEFOTMLWOP-WEHUKYGOSA-N 0 0 244.334 4.072 20 0 BIADRN CC[C@@H](C)c1ccccc1OC(=O)CC1CCC1 ZINC000744022671 585142309 /nfs/dbraw/zinc/14/23/09/585142309.db2.gz MYGMCYHUGAMGQS-GFCCVEGCSA-N 0 0 246.350 4.296 20 0 BIADRN CC[C@H](C)c1ccccc1OC(=O)CC1CCC1 ZINC000744022672 585142197 /nfs/dbraw/zinc/14/21/97/585142197.db2.gz MYGMCYHUGAMGQS-LBPRGKRZSA-N 0 0 246.350 4.296 20 0 BIADRN CCC[C@@H](C)C(=O)O[C@@H](C)c1ccccc1C ZINC000744067358 585143710 /nfs/dbraw/zinc/14/37/10/585143710.db2.gz OVUOFMOGFLKEAS-OLZOCXBDSA-N 0 0 234.339 4.035 20 0 BIADRN CCC[C@H](C)C(=O)O[C@@H](C)c1ccccc1C ZINC000744067359 585143654 /nfs/dbraw/zinc/14/36/54/585143654.db2.gz OVUOFMOGFLKEAS-STQMWFEESA-N 0 0 234.339 4.035 20 0 BIADRN CC[C@H](OC(=O)CC1CCC1)c1ccc(C)cc1 ZINC000744076958 585143751 /nfs/dbraw/zinc/14/37/51/585143751.db2.gz QPHKCRRNYKNBTK-HNNXBMFYSA-N 0 0 246.350 4.180 20 0 BIADRN CC[C@@H](OC(=O)CC1CCC1)c1ccc(C)cc1 ZINC000744076959 585143681 /nfs/dbraw/zinc/14/36/81/585143681.db2.gz QPHKCRRNYKNBTK-OAHLLOKOSA-N 0 0 246.350 4.180 20 0 BIADRN CCC[C@H](OC(=O)CC1CCC1)c1ccccc1 ZINC000744083960 585143905 /nfs/dbraw/zinc/14/39/05/585143905.db2.gz JNVUWTQJEUXKFZ-HNNXBMFYSA-N 0 0 246.350 4.261 20 0 BIADRN CCC[C@@H](OC(=O)CC1CCC1)c1ccccc1 ZINC000744083963 585143875 /nfs/dbraw/zinc/14/38/75/585143875.db2.gz JNVUWTQJEUXKFZ-OAHLLOKOSA-N 0 0 246.350 4.261 20 0 BIADRN CCC[C@@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000744084036 585143891 /nfs/dbraw/zinc/14/38/91/585143891.db2.gz KHMNNWDUUBVNRV-AYJWMTRPSA-N 0 0 244.334 4.037 20 0 BIADRN CCC[C@@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000744084037 585143820 /nfs/dbraw/zinc/14/38/20/585143820.db2.gz KHMNNWDUUBVNRV-QYMJWVLRSA-N 0 0 244.334 4.037 20 0 BIADRN CCC[C@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000744084038 585143897 /nfs/dbraw/zinc/14/38/97/585143897.db2.gz KHMNNWDUUBVNRV-RUMSDORHSA-N 0 0 244.334 4.037 20 0 BIADRN CCC[C@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000744084039 585143827 /nfs/dbraw/zinc/14/38/27/585143827.db2.gz KHMNNWDUUBVNRV-SSCKCOOKSA-N 0 0 244.334 4.037 20 0 BIADRN CC(C)[C@H](C(=O)OCC(C)(C)C)c1ccccc1 ZINC000744095424 585143918 /nfs/dbraw/zinc/14/39/18/585143918.db2.gz OEHXUDOFYMKTAA-AWEZNQCLSA-N 0 0 248.366 4.016 20 0 BIADRN CC(C)[C@@H](C(=O)OCC(C)(C)C)c1ccccc1 ZINC000744095425 585143828 /nfs/dbraw/zinc/14/38/28/585143828.db2.gz OEHXUDOFYMKTAA-CQSZACIVSA-N 0 0 248.366 4.016 20 0 BIADRN CCC[C@@H](CC)Nc1cccc(F)c1C(C)=O ZINC000744180071 585145022 /nfs/dbraw/zinc/14/50/22/585145022.db2.gz KMUGXUSPYKQXMR-LLVKDONJSA-N 0 0 237.318 4.019 20 0 BIADRN CCC[C@H](CC)Nc1cccc(F)c1C(C)=O ZINC000744180072 585145168 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Clc1ccccc1SCc1cscn1 ZINC000747900364 644586992 /nfs/dbraw/zinc/58/69/92/644586992.db2.gz UDJHVLMYUGZJDS-UHFFFAOYSA-N 0 0 241.768 4.089 20 0 BIADRN Cc1cscc1NC(=O)/C=C\C1CCCCC1 ZINC000748091485 585187023 /nfs/dbraw/zinc/18/70/23/585187023.db2.gz ZTEOMKNBIRWWHK-FPLPWBNLSA-N 0 0 249.379 4.132 20 0 BIADRN CCCCC[C@H](OC(=O)C1CC1)c1ccccc1 ZINC000748115703 585187505 /nfs/dbraw/zinc/18/75/05/585187505.db2.gz ULEOMZWYKHSSDR-HNNXBMFYSA-N 0 0 246.350 4.261 20 0 BIADRN CCCCC[C@@H](OC(=O)C1CC1)c1ccccc1 ZINC000748115705 585187461 /nfs/dbraw/zinc/18/74/61/585187461.db2.gz ULEOMZWYKHSSDR-OAHLLOKOSA-N 0 0 246.350 4.261 20 0 BIADRN Cc1ccc(C)c(NCc2ncc(C(C)C)o2)c1 ZINC000748447766 585192875 /nfs/dbraw/zinc/19/28/75/585192875.db2.gz AMMNPCWZVZKKKM-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1cccc(NCc2ncc(C(C)C)o2)c1C ZINC000748450144 585193036 /nfs/dbraw/zinc/19/30/36/585193036.db2.gz QCVNDWXKXNRMDS-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1ccc(NCc2ncc(C(C)C)o2)c(C)c1 ZINC000748450187 585192994 /nfs/dbraw/zinc/19/29/94/585192994.db2.gz SKCOBEGHPBCNRG-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1ccc(NCc2ncc(C(C)C)o2)cc1C ZINC000748451706 585193086 /nfs/dbraw/zinc/19/30/86/585193086.db2.gz CLOCWXXAYSMASW-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1cc(C)cc(NCc2ncc(C(C)C)o2)c1 ZINC000748452271 585193064 /nfs/dbraw/zinc/19/30/64/585193064.db2.gz KVSNPHAUJQDNKZ-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN Cc1cccc(C)c1NCc1ncc(C(C)C)o1 ZINC000748453415 585192946 /nfs/dbraw/zinc/19/29/46/585192946.db2.gz XLUVXHXXYNWUPY-UHFFFAOYSA-N 0 0 244.338 4.027 20 0 BIADRN CCC/C=C\C(=O)Nc1c(C)cccc1C(C)C ZINC000748554536 585193911 /nfs/dbraw/zinc/19/39/11/585193911.db2.gz PSQDCPMWYAPUBW-XFFZJAGNSA-N 0 0 245.366 4.413 20 0 BIADRN CCC/C=C/C(=O)Nc1c(C)cccc1C(C)C ZINC000748554537 585193893 /nfs/dbraw/zinc/19/38/93/585193893.db2.gz PSQDCPMWYAPUBW-YRNVUSSQSA-N 0 0 245.366 4.413 20 0 BIADRN CCC[C@H](C)CC(=O)Oc1cccc(Cl)c1 ZINC000748597993 585194448 /nfs/dbraw/zinc/19/44/48/585194448.db2.gz 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/nfs/dbraw/zinc/19/47/09/585194709.db2.gz BRRMPGNUDRPPPX-LBPRGKRZSA-N 0 0 247.382 4.093 20 0 BIADRN CN(C(=O)C=C1CCCC1)C1CCCCCCC1 ZINC000748640375 585194667 /nfs/dbraw/zinc/19/46/67/585194667.db2.gz HHVZDOXBCIHEEG-UHFFFAOYSA-N 0 0 249.398 4.058 20 0 BIADRN CCCCCC(=O)N(C)C1CCCCCCC1 ZINC000748643274 585194680 /nfs/dbraw/zinc/19/46/80/585194680.db2.gz RCWWUXZAEBYJQH-UHFFFAOYSA-N 0 0 239.403 4.138 20 0 BIADRN CCCCCC[C@H](C)NC(=O)C[C@@H](C)CCC ZINC000748702490 585194825 /nfs/dbraw/zinc/19/48/25/585194825.db2.gz NPSPNFNMJPGGNY-KBPBESRZSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@H](C)NC(=O)C[C@H](C)CCC ZINC000748702492 585194864 /nfs/dbraw/zinc/19/48/64/585194864.db2.gz NPSPNFNMJPGGNY-KGLIPLIRSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC000748702493 585194938 /nfs/dbraw/zinc/19/49/38/585194938.db2.gz NPSPNFNMJPGGNY-UONOGXRCSA-N 0 0 241.419 4.288 20 0 BIADRN CCCCCC[C@@H](C)NC(=O)C[C@H](C)CCC ZINC000748702495 585194925 /nfs/dbraw/zinc/19/49/25/585194925.db2.gz 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CCCCCCNc1cccc([C@H](C)OC)c1 ZINC000749269554 644591162 /nfs/dbraw/zinc/59/11/62/644591162.db2.gz DRVCQOXAEGVTMC-ZDUSSCGKSA-N 0 0 235.371 4.386 20 0 BIADRN CCCCCC[C@@H](C)NC(=O)CCC1CCC1 ZINC000749340128 585201495 /nfs/dbraw/zinc/20/14/95/585201495.db2.gz HAFBWCGZWKQHDU-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCC[C@H](C)NC(=O)CCC1CCC1 ZINC000749340129 585201508 /nfs/dbraw/zinc/20/15/08/585201508.db2.gz HAFBWCGZWKQHDU-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN Cc1ccc(N(C)CCc2cccs2)cc1C ZINC000749440226 585202231 /nfs/dbraw/zinc/20/22/31/585202231.db2.gz AXNJAAZQBSLKOC-UHFFFAOYSA-N 0 0 245.391 4.044 20 0 BIADRN Cc1cccc(N(C)CCc2cccs2)c1C ZINC000749441388 585202337 /nfs/dbraw/zinc/20/23/37/585202337.db2.gz SUQXCGLRNXDKNV-UHFFFAOYSA-N 0 0 245.391 4.044 20 0 BIADRN Cc1ccc(SCCc2cccs2)cc1 ZINC000749451390 585202408 /nfs/dbraw/zinc/20/24/08/585202408.db2.gz CDHDHQCANZHRLR-UHFFFAOYSA-N 0 0 234.389 4.391 20 0 BIADRN c1csc(CCSc2ccccc2)c1 ZINC000749452431 585202553 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CSCCS[C@@H](C)c1cc(F)ccc1F ZINC000774675214 585662907 /nfs/dbraw/zinc/66/29/07/585662907.db2.gz MRZQGJYASNZIPT-QMMMGPOBSA-N 0 0 248.363 4.122 20 0 BIADRN CSCCS[C@H](C)c1ccc(F)cc1F ZINC000774676037 585662953 /nfs/dbraw/zinc/66/29/53/585662953.db2.gz VYLYFRRIFQWTKV-MRVPVSSYSA-N 0 0 248.363 4.122 20 0 BIADRN CSCCS[C@@H](C)c1ccc(F)cc1F ZINC000774676043 585663239 /nfs/dbraw/zinc/66/32/39/585663239.db2.gz VYLYFRRIFQWTKV-QMMMGPOBSA-N 0 0 248.363 4.122 20 0 BIADRN CSCCS[C@H](C)c1ccccc1C ZINC000774679246 585663081 /nfs/dbraw/zinc/66/30/81/585663081.db2.gz HWDBIHJLIAXTCG-LLVKDONJSA-N 0 0 226.410 4.152 20 0 BIADRN CSCCS[C@@H](C)c1ccccc1C ZINC000774679248 585663102 /nfs/dbraw/zinc/66/31/02/585663102.db2.gz HWDBIHJLIAXTCG-NSHDSACASA-N 0 0 226.410 4.152 20 0 BIADRN CSCCSCc1cc2ccccc2o1 ZINC000774679992 585663196 /nfs/dbraw/zinc/66/31/96/585663196.db2.gz ONKIXVWTIVFTBM-UHFFFAOYSA-N 0 0 238.377 4.029 20 0 BIADRN CSCCS[C@H](C)c1cccc(C)c1 ZINC000774679998 585663205 /nfs/dbraw/zinc/66/32/05/585663205.db2.gz OQJRFLJSQXTLHJ-LLVKDONJSA-N 0 0 226.410 4.152 20 0 BIADRN CSCCS[C@@H](C)c1cccc(C)c1 ZINC000774679999 585663092 /nfs/dbraw/zinc/66/30/92/585663092.db2.gz OQJRFLJSQXTLHJ-NSHDSACASA-N 0 0 226.410 4.152 20 0 BIADRN CSCCSCc1ccc(SC)cc1 ZINC000774680275 585663077 /nfs/dbraw/zinc/66/30/77/585663077.db2.gz PRAZQDHAHPKWSE-UHFFFAOYSA-N 0 0 244.450 4.005 20 0 BIADRN CSCCSCCCc1ccccc1C ZINC000774680520 585663253 /nfs/dbraw/zinc/66/32/53/585663253.db2.gz TZVOEBNRWBOBKD-UHFFFAOYSA-N 0 0 240.437 4.024 20 0 BIADRN CCSCCSCCCCC(F)(F)F ZINC000774680541 585663095 /nfs/dbraw/zinc/66/30/95/585663095.db2.gz VJADEKHXRMMHAY-UHFFFAOYSA-N 0 0 246.363 4.205 20 0 BIADRN CCSCCSC/C=C/c1ccccc1 ZINC000774680928 585663237 /nfs/dbraw/zinc/66/32/37/585663237.db2.gz WQOCKJIKOJLBMK-RMKNXTFCSA-N 0 0 238.421 4.186 20 0 BIADRN CCSCCSC/C=C\c1ccccc1 ZINC000774680929 585663181 /nfs/dbraw/zinc/66/31/81/585663181.db2.gz WQOCKJIKOJLBMK-TWGQIWQCSA-N 0 0 238.421 4.186 20 0 BIADRN CCSCCS[C@H](C)c1ccccc1 ZINC000774680993 585663230 /nfs/dbraw/zinc/66/32/30/585663230.db2.gz ZMERKZPSAPKZOH-LLVKDONJSA-N 0 0 226.410 4.234 20 0 BIADRN CCSCCS[C@@H](C)c1ccccc1 ZINC000774680994 585663268 /nfs/dbraw/zinc/66/32/68/585663268.db2.gz ZMERKZPSAPKZOH-NSHDSACASA-N 0 0 226.410 4.234 20 0 BIADRN CC[C@@H](SCCSC)c1ccc(F)cc1 ZINC000774684051 585663097 /nfs/dbraw/zinc/66/30/97/585663097.db2.gz RQEQVMAWOHDTOV-GFCCVEGCSA-N 0 0 244.400 4.373 20 0 BIADRN CC[C@H](SCCSC)c1ccc(F)cc1 ZINC000774684053 585663063 /nfs/dbraw/zinc/66/30/63/585663063.db2.gz RQEQVMAWOHDTOV-LBPRGKRZSA-N 0 0 244.400 4.373 20 0 BIADRN CCc1ccc(NCc2ccoc2)cc1CC ZINC000774824734 585666714 /nfs/dbraw/zinc/66/67/14/585666714.db2.gz ONEKTIFUCKDASE-UHFFFAOYSA-N 0 0 229.323 4.017 20 0 BIADRN c1sc2ccccc2c1NC[C@H]1CCC=CO1 ZINC000775058943 585671287 /nfs/dbraw/zinc/67/12/87/585671287.db2.gz YMSQFQXUNOMXGB-LLVKDONJSA-N 0 0 245.347 4.006 20 0 BIADRN c1sc2ccccc2c1NC[C@@H]1CCC=CO1 ZINC000775058945 585671289 /nfs/dbraw/zinc/67/12/89/585671289.db2.gz YMSQFQXUNOMXGB-NSHDSACASA-N 0 0 245.347 4.006 20 0 BIADRN c1ccc2c(c1)CSC(SCCC1CC1)=N2 ZINC000775170521 644701738 /nfs/dbraw/zinc/70/17/38/644701738.db2.gz BCELMIAWGNQNDT-UHFFFAOYSA-N 0 0 249.404 4.454 20 0 BIADRN Cc1occc1SCc1ccc(CF)cc1 ZINC000775213715 585673577 /nfs/dbraw/zinc/67/35/77/585673577.db2.gz BRJBNWYJUJTPIE-UHFFFAOYSA-N 0 0 236.311 4.350 20 0 BIADRN CC(C)=C(C)C(=O)Nc1ccc2occ(C)c2c1 ZINC000775449599 585678200 /nfs/dbraw/zinc/67/82/00/585678200.db2.gz HKVCPCDVSBFNKK-UHFFFAOYSA-N 0 0 243.306 4.036 20 0 BIADRN CCC/C=C/C(=O)Nc1ccc2occ(C)c2c1 ZINC000775450064 585678000 /nfs/dbraw/zinc/67/80/00/585678000.db2.gz NOBGRWKDIFPQCV-AATRIKPKSA-N 0 0 243.306 4.036 20 0 BIADRN CCC/C=C\C(=O)Nc1ccc2occ(C)c2c1 ZINC000775450067 585678026 /nfs/dbraw/zinc/67/80/26/585678026.db2.gz NOBGRWKDIFPQCV-WAYWQWQTSA-N 0 0 243.306 4.036 20 0 BIADRN CSc1cccc(NC(=O)C(C)=C(C)C)c1C ZINC000775510983 585678680 /nfs/dbraw/zinc/67/86/80/585678680.db2.gz IGIUMNQVSLUXRG-UHFFFAOYSA-N 0 0 249.379 4.012 20 0 BIADRN CCC/C=C\C(=O)Nc1cccc(SC)c1C ZINC000775587898 585681001 /nfs/dbraw/zinc/68/10/01/585681001.db2.gz KOLJLBQVPCDKBY-POHAHGRESA-N 0 0 249.379 4.012 20 0 BIADRN CCC/C=C/C(=O)Nc1cccc(SC)c1C ZINC000775587899 585680868 /nfs/dbraw/zinc/68/08/68/585680868.db2.gz KOLJLBQVPCDKBY-UXBLZVDNSA-N 0 0 249.379 4.012 20 0 BIADRN CCCCC[C@@H](CC)C(=O)NC1CCCCC1 ZINC000775631793 585681951 /nfs/dbraw/zinc/68/19/51/585681951.db2.gz VZXDDBMHLAYDEX-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](CC)C(=O)NC1CCCCC1 ZINC000775631795 585682109 /nfs/dbraw/zinc/68/21/09/585682109.db2.gz VZXDDBMHLAYDEX-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](CC)c1nc(C2CC2)no1 ZINC000775643885 585681910 /nfs/dbraw/zinc/68/19/10/585681910.db2.gz XBJSEZLYADVNBR-JTQLQIEISA-N 0 0 222.332 4.021 20 0 BIADRN CCCCC[C@@H](CC)c1nc(C2CC2)no1 ZINC000775643886 585681973 /nfs/dbraw/zinc/68/19/73/585681973.db2.gz XBJSEZLYADVNBR-SNVBAGLBSA-N 0 0 222.332 4.021 20 0 BIADRN CCCCC[C@H](CC)C(=O)N(C)[C@@H](C)C(C)C ZINC000775656976 585682558 /nfs/dbraw/zinc/68/25/58/585682558.db2.gz RUZLJMGUMUIHLR-KBPBESRZSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@H](CC)C(=O)N(C)[C@H](C)C(C)C ZINC000775656978 585682536 /nfs/dbraw/zinc/68/25/36/585682536.db2.gz RUZLJMGUMUIHLR-KGLIPLIRSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)C(C)C ZINC000775656980 585682390 /nfs/dbraw/zinc/68/23/90/585682390.db2.gz RUZLJMGUMUIHLR-UONOGXRCSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@@H](CC)C(=O)N(C)[C@H](C)C(C)C ZINC000775656981 585682530 /nfs/dbraw/zinc/68/25/30/585682530.db2.gz RUZLJMGUMUIHLR-ZIAGYGMSSA-N 0 0 241.419 4.096 20 0 BIADRN CCCCC[C@@H](CC)C(=O)NC1(C)CCCC1 ZINC000775671532 585682848 /nfs/dbraw/zinc/68/28/48/585682848.db2.gz GOLFQHIIKSSHRR-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](CC)C(=O)NC1(C)CCCC1 ZINC000775671533 585682743 /nfs/dbraw/zinc/68/27/43/585682743.db2.gz GOLFQHIIKSSHRR-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@@H](CC)C(=O)Nc1ccsc1 ZINC000775748186 585683763 /nfs/dbraw/zinc/68/37/63/585683763.db2.gz WRSMSJZCAQWFGX-LLVKDONJSA-N 0 0 239.384 4.293 20 0 BIADRN CCCCC[C@H](CC)C(=O)Nc1ccsc1 ZINC000775748187 585683871 /nfs/dbraw/zinc/68/38/71/585683871.db2.gz WRSMSJZCAQWFGX-NSHDSACASA-N 0 0 239.384 4.293 20 0 BIADRN CCCCC[C@@H](CC)C(=O)N(C)C(C)(C)CC ZINC000775748772 585683685 /nfs/dbraw/zinc/68/36/85/585683685.db2.gz BPWQLXWOMDOXJB-CYBMUJFWSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@H](CC)C(=O)N(C)C(C)(C)CC ZINC000775748773 585683679 /nfs/dbraw/zinc/68/36/79/585683679.db2.gz BPWQLXWOMDOXJB-ZDUSSCGKSA-N 0 0 241.419 4.240 20 0 BIADRN CCCCC[C@@H](CC)C(=O)NC1(CC)CCC1 ZINC000775769296 585684471 /nfs/dbraw/zinc/68/44/71/585684471.db2.gz MQFOXTONNNOXQV-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](CC)C(=O)NC1(CC)CCC1 ZINC000775769297 585684536 /nfs/dbraw/zinc/68/45/36/585684536.db2.gz MQFOXTONNNOXQV-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCCCC(=O)Nc1cccc(C)c1F ZINC000775868336 585686681 /nfs/dbraw/zinc/68/66/81/585686681.db2.gz QJSMKFSVCCBISH-UHFFFAOYSA-N 0 0 237.318 4.043 20 0 BIADRN C/C(=C/C(=O)Nc1cccc(C)c1F)C(C)(C)C ZINC000775870287 585686711 /nfs/dbraw/zinc/68/67/11/585686711.db2.gz WMOHRODTUPTPEH-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C\C(=O)Nc1cccc(C)c1F)C(C)(C)C ZINC000775870291 585686758 /nfs/dbraw/zinc/68/67/58/585686758.db2.gz WMOHRODTUPTPEH-PKNBQFBNSA-N 0 0 249.329 4.065 20 0 BIADRN CSc1ccc(C)c(NC(=O)C(C)=C(C)C)c1 ZINC000775965359 585688660 /nfs/dbraw/zinc/68/86/60/585688660.db2.gz MIXNWTKSWPXIRZ-UHFFFAOYSA-N 0 0 249.379 4.012 20 0 BIADRN CCC/C=C\C(=O)Nc1cc(SC)ccc1C ZINC000775969904 585688612 /nfs/dbraw/zinc/68/86/12/585688612.db2.gz YRMMYMWROADANJ-SREVYHEPSA-N 0 0 249.379 4.012 20 0 BIADRN CCC/C=C/C(=O)Nc1cc(SC)ccc1C ZINC000775969905 585688604 /nfs/dbraw/zinc/68/86/04/585688604.db2.gz YRMMYMWROADANJ-VOTSOKGWSA-N 0 0 249.379 4.012 20 0 BIADRN c1cc(COc2ccc3ccccc3c2)cs1 ZINC000776113654 585691060 /nfs/dbraw/zinc/69/10/60/585691060.db2.gz BWMSDURHTOCPTP-UHFFFAOYSA-N 0 0 240.327 4.480 20 0 BIADRN CCCCC[C@H](CC)C(=O)N(C(C)C)C(C)C ZINC000776208386 585693281 /nfs/dbraw/zinc/69/32/81/585693281.db2.gz BQDMJWBPIBJWED-AWEZNQCLSA-N 0 0 241.419 4.238 20 0 BIADRN CCCCC[C@@H](CC)C(=O)N(C(C)C)C(C)C ZINC000776208387 585693302 /nfs/dbraw/zinc/69/33/02/585693302.db2.gz BQDMJWBPIBJWED-CQSZACIVSA-N 0 0 241.419 4.238 20 0 BIADRN CCCN(C(=O)/C(C)=C\C(C)(C)C)C(C)(C)C ZINC000776325818 585695800 /nfs/dbraw/zinc/69/58/00/585695800.db2.gz SGNHQNXBEFDLGT-QXMHVHEDSA-N 0 0 239.403 4.016 20 0 BIADRN CCCN(C(=O)/C(C)=C/C(C)(C)C)C(C)(C)C ZINC000776325821 585695665 /nfs/dbraw/zinc/69/56/65/585695665.db2.gz SGNHQNXBEFDLGT-VAWYXSNFSA-N 0 0 239.403 4.016 20 0 BIADRN C/C(=C/C(=O)Nc1c(C)cccc1F)C(C)(C)C ZINC000776350012 585696272 /nfs/dbraw/zinc/69/62/72/585696272.db2.gz GNWPOVJEPIUUIY-LUAWRHEFSA-N 0 0 249.329 4.065 20 0 BIADRN C/C(=C\C(=O)Nc1c(C)cccc1F)C(C)(C)C ZINC000776350013 585696278 /nfs/dbraw/zinc/69/62/78/585696278.db2.gz GNWPOVJEPIUUIY-PKNBQFBNSA-N 0 0 249.329 4.065 20 0 BIADRN CCO[C@H]1C[C@@H](Nc2ccccc2)C1(CC)CC ZINC000776723295 585703639 /nfs/dbraw/zinc/70/36/39/585703639.db2.gz NMRHMJRSVUUYGI-CABCVRRESA-N 0 0 247.382 4.082 20 0 BIADRN CCO[C@H]1C[C@H](Nc2ccccc2)C1(CC)CC ZINC000776723297 585703641 /nfs/dbraw/zinc/70/36/41/585703641.db2.gz NMRHMJRSVUUYGI-GJZGRUSLSA-N 0 0 247.382 4.082 20 0 BIADRN CCO[C@@H]1C[C@@H](Nc2ccccc2)C1(CC)CC ZINC000776723298 585703512 /nfs/dbraw/zinc/70/35/12/585703512.db2.gz NMRHMJRSVUUYGI-HUUCEWRRSA-N 0 0 247.382 4.082 20 0 BIADRN CCO[C@@H]1C[C@H](Nc2ccccc2)C1(CC)CC ZINC000776723300 585703506 /nfs/dbraw/zinc/70/35/06/585703506.db2.gz NMRHMJRSVUUYGI-LSDHHAIUSA-N 0 0 247.382 4.082 20 0 BIADRN Cc1cccc(N[C@H](C)c2cccnc2Cl)c1 ZINC000776775042 585705213 /nfs/dbraw/zinc/70/52/13/585705213.db2.gz AFPAEEOQRUPWCZ-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1cccc(N[C@@H](C)c2cccnc2Cl)c1 ZINC000776775044 585705009 /nfs/dbraw/zinc/70/50/09/585705009.db2.gz AFPAEEOQRUPWCZ-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@H](C)c2cccnc2Cl)cc1 ZINC000776776363 585705369 /nfs/dbraw/zinc/70/53/69/585705369.db2.gz HHKXACSZJZNQIG-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2cccnc2Cl)cc1 ZINC000776776367 585703913 /nfs/dbraw/zinc/70/39/13/585703913.db2.gz HHKXACSZJZNQIG-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN CCc1noc(C)c1[C@@H](C)Nc1ccc(C)cc1 ZINC000776776380 585705537 /nfs/dbraw/zinc/70/55/37/585705537.db2.gz HPKWDBWQJNWSOR-LLVKDONJSA-N 0 0 244.338 4.027 20 0 BIADRN CCc1noc(C)c1[C@H](C)Nc1ccc(C)cc1 ZINC000776776386 585705471 /nfs/dbraw/zinc/70/54/71/585705471.db2.gz HPKWDBWQJNWSOR-NSHDSACASA-N 0 0 244.338 4.027 20 0 BIADRN Cc1cccc(N[C@H](C)c2ccnc(Cl)c2)c1 ZINC000776776392 585705501 /nfs/dbraw/zinc/70/55/01/585705501.db2.gz KTYZYTMAXRCJIH-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1cccc(N[C@@H](C)c2ccnc(Cl)c2)c1 ZINC000776776395 585705371 /nfs/dbraw/zinc/70/53/71/585705371.db2.gz KTYZYTMAXRCJIH-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(F)cc1 ZINC000776776501 585705552 /nfs/dbraw/zinc/70/55/52/585705552.db2.gz IPDPKQHGKPXVMZ-INIZCTEOSA-N 0 0 241.309 4.234 20 0 BIADRN Cc1ccc2c(c1)CC[C@H]2Nc1ccc(F)cc1 ZINC000776776519 585705519 /nfs/dbraw/zinc/70/55/19/585705519.db2.gz IPDPKQHGKPXVMZ-MRXNPFEDSA-N 0 0 241.309 4.234 20 0 BIADRN CCc1noc(C)c1[C@@H](C)Nc1cccc(C)c1 ZINC000776778053 585705426 /nfs/dbraw/zinc/70/54/26/585705426.db2.gz OUCBITSEXZKKTK-LLVKDONJSA-N 0 0 244.338 4.027 20 0 BIADRN CCc1noc(C)c1[C@H](C)Nc1cccc(C)c1 ZINC000776778054 585705473 /nfs/dbraw/zinc/70/54/73/585705473.db2.gz OUCBITSEXZKKTK-NSHDSACASA-N 0 0 244.338 4.027 20 0 BIADRN Cc1ccc(N[C@H](C)c2ccnc(Cl)c2)cc1 ZINC000776779689 585705425 /nfs/dbraw/zinc/70/54/25/585705425.db2.gz JMDQLPGVEDNKMK-LLVKDONJSA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc(N[C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000776779690 585705474 /nfs/dbraw/zinc/70/54/74/585705474.db2.gz JMDQLPGVEDNKMK-NSHDSACASA-N 0 0 246.741 4.217 20 0 BIADRN Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(F)c1 ZINC000776780045 583126729 /nfs/dbraw/zinc/12/67/29/583126729.db2.gz BWJMTHSXEFJION-INIZCTEOSA-N 0 0 241.309 4.234 20 0 BIADRN Cc1ccc2c(c1)CC[C@H]2Nc1cccc(F)c1 ZINC000776780046 583126952 /nfs/dbraw/zinc/12/69/52/583126952.db2.gz BWJMTHSXEFJION-MRXNPFEDSA-N 0 0 241.309 4.234 20 0 BIADRN CC(C)Nc1cccc(COc2ccccc2)c1 ZINC000776861022 585706130 /nfs/dbraw/zinc/70/61/30/585706130.db2.gz BMIIUARNGQWWCG-UHFFFAOYSA-N 0 0 241.334 4.086 20 0 BIADRN CC(C)[C@H](C)Nc1cccc(N2CCCCC2)c1 ZINC000776870524 585706200 /nfs/dbraw/zinc/70/62/00/585706200.db2.gz RISUCGBDPBEISF-AWEZNQCLSA-N 0 0 246.398 4.133 20 0 BIADRN CC(C)[C@@H](C)Nc1cccc(N2CCCCC2)c1 ZINC000776870525 585706275 /nfs/dbraw/zinc/70/62/75/585706275.db2.gz RISUCGBDPBEISF-CQSZACIVSA-N 0 0 246.398 4.133 20 0 BIADRN CC(C)CCCSCC(F)(F)C(F)F ZINC000776871271 585706633 /nfs/dbraw/zinc/70/66/33/585706633.db2.gz RQBAMDQYYWUPGN-UHFFFAOYSA-N 0 0 232.286 4.056 20 0 BIADRN CC(C)CCCS[C@H](C)OC(=O)OC(C)C ZINC000776871829 585706632 /nfs/dbraw/zinc/70/66/32/585706632.db2.gz WLMMIVBUJXFSOH-LLVKDONJSA-N 0 0 248.388 4.063 20 0 BIADRN CC(C)CCCS[C@@H](C)OC(=O)OC(C)C ZINC000776871830 585706476 /nfs/dbraw/zinc/70/64/76/585706476.db2.gz WLMMIVBUJXFSOH-NSHDSACASA-N 0 0 248.388 4.063 20 0 BIADRN Cc1cnc(CSCCCC(C)C)s1 ZINC000776873165 585706631 /nfs/dbraw/zinc/70/66/31/585706631.db2.gz MWJRGASGIQDODN-UHFFFAOYSA-N 0 0 229.414 4.121 20 0 BIADRN CC(C)CCCSCc1ncc(C(C)C)o1 ZINC000776873847 585706600 /nfs/dbraw/zinc/70/66/00/585706600.db2.gz UIIUBKMJOKBDHW-UHFFFAOYSA-N 0 0 241.400 4.467 20 0 BIADRN CC(C)CSCc1ccc(CF)cc1 ZINC000776890776 585706634 /nfs/dbraw/zinc/70/66/34/585706634.db2.gz NNNMWXKCOIJTRR-UHFFFAOYSA-N 0 0 212.333 4.045 20 0 BIADRN Cc1ccc(SCc2ccc(CF)cc2)nc1 ZINC000776894512 585706790 /nfs/dbraw/zinc/70/67/90/585706790.db2.gz HFMRACCUTUSPQA-UHFFFAOYSA-N 0 0 247.338 4.152 20 0 BIADRN CSCCCSCc1ccc(CF)cc1 ZINC000776907705 585706810 /nfs/dbraw/zinc/70/68/10/585706810.db2.gz NECDFOSALNRJFG-UHFFFAOYSA-N 0 0 244.400 4.142 20 0 BIADRN CCSCCSCc1ccc(CF)cc1 ZINC000776909016 585706799 /nfs/dbraw/zinc/70/67/99/585706799.db2.gz JJMMPYRZSRPRAS-UHFFFAOYSA-N 0 0 244.400 4.142 20 0 BIADRN Cc1cscc1N[C@H]1CCc2cc(C)ccc21 ZINC000777249542 585709763 /nfs/dbraw/zinc/70/97/63/585709763.db2.gz KZTBYZVDCQJFJZ-AWEZNQCLSA-N 0 0 243.375 4.464 20 0 BIADRN Cc1cscc1N[C@@H]1CCc2cc(C)ccc21 ZINC000777249543 585709876 /nfs/dbraw/zinc/70/98/76/585709876.db2.gz KZTBYZVDCQJFJZ-CQSZACIVSA-N 0 0 243.375 4.464 20 0 BIADRN C[C@H](OC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC000777430081 585711681 /nfs/dbraw/zinc/71/16/81/585711681.db2.gz MZPKVOOPJSPKIZ-KBPBESRZSA-N 0 0 244.334 4.037 20 0 BIADRN C[C@@H](OC(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC000777430083 585711771 /nfs/dbraw/zinc/71/17/71/585711771.db2.gz MZPKVOOPJSPKIZ-KGLIPLIRSA-N 0 0 244.334 4.037 20 0 BIADRN C[C@H](OC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC000777430085 585711774 /nfs/dbraw/zinc/71/17/74/585711774.db2.gz MZPKVOOPJSPKIZ-UONOGXRCSA-N 0 0 244.334 4.037 20 0 BIADRN C[C@@H](OC(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC000777430086 585711688 /nfs/dbraw/zinc/71/16/88/585711688.db2.gz MZPKVOOPJSPKIZ-ZIAGYGMSSA-N 0 0 244.334 4.037 20 0 BIADRN CC(C)(C)c1ccc(CNc2ccccn2)s1 ZINC000777506052 585713863 /nfs/dbraw/zinc/71/38/63/585713863.db2.gz ARNOJLQQQGUAGK-UHFFFAOYSA-N 0 0 246.379 4.053 20 0 BIADRN FCc1ccc(CSc2ccccc2)cc1 ZINC000777530342 585713762 /nfs/dbraw/zinc/71/37/62/585713762.db2.gz GDBIHBRESSZXCD-UHFFFAOYSA-N 0 0 232.323 4.448 20 0 BIADRN FCc1ccc(CSC2CCCC2)cc1 ZINC000777532354 585714386 /nfs/dbraw/zinc/71/43/86/585714386.db2.gz SSUYHOHYTPSTSH-UHFFFAOYSA-N 0 0 224.344 4.332 20 0 BIADRN FCc1ccc(CSCc2ccco2)cc1 ZINC000777532502 585714234 /nfs/dbraw/zinc/71/42/34/585714234.db2.gz UPOLEPQZEPSLHM-UHFFFAOYSA-N 0 0 236.311 4.183 20 0 BIADRN Oc1ccccc1SCc1ccc(CF)cc1 ZINC000777534408 585714292 /nfs/dbraw/zinc/71/42/92/585714292.db2.gz FHSJXSCHQYVXOL-UHFFFAOYSA-N 0 0 248.322 4.154 20 0 BIADRN Oc1ccc(SCc2ccc(CF)cc2)cc1 ZINC000777534410 585714204 /nfs/dbraw/zinc/71/42/04/585714204.db2.gz FKRMNQXNMKALBO-UHFFFAOYSA-N 0 0 248.322 4.154 20 0 BIADRN Cc1cc(F)ccc1NCc1ccc(CF)cc1 ZINC000777538300 585714406 /nfs/dbraw/zinc/71/44/06/585714406.db2.gz ABSOKGMTMGQYPO-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN FCc1ccc(CNc2ccccc2Cl)cc1 ZINC000777538957 585714559 /nfs/dbraw/zinc/71/45/59/585714559.db2.gz FYSUAMBZZBKYBO-UHFFFAOYSA-N 0 0 249.716 4.422 20 0 BIADRN Cc1cccc(NCc2ccc(CF)cc2)c1C ZINC000777538972 585714697 /nfs/dbraw/zinc/71/46/97/585714697.db2.gz GPCQMWDUBOSVNS-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN Cc1cccc(OCc2ccc(CF)cc2)c1 ZINC000777539492 585714643 /nfs/dbraw/zinc/71/46/43/585714643.db2.gz SWVBZPTYKZQACA-UHFFFAOYSA-N 0 0 230.282 4.044 20 0 BIADRN Cc1ccccc1OCc1ccc(CF)cc1 ZINC000777539536 585714568 /nfs/dbraw/zinc/71/45/68/585714568.db2.gz UDGGQIXEOVBAFX-UHFFFAOYSA-N 0 0 230.282 4.044 20 0 BIADRN Cc1ccc(OCc2ccc(CF)cc2)cc1 ZINC000777539539 585714555 /nfs/dbraw/zinc/71/45/55/585714555.db2.gz UEMGXJMLVMMZIP-UHFFFAOYSA-N 0 0 230.282 4.044 20 0 BIADRN CCc1ccccc1NCc1ccc(CF)cc1 ZINC000777539708 585714531 /nfs/dbraw/zinc/71/45/31/585714531.db2.gz KDPGAZOEZFYIQK-UHFFFAOYSA-N 0 0 243.325 4.331 20 0 BIADRN CCc1ccc(NCc2ccc(CF)cc2)cc1 ZINC000777539779 585714451 /nfs/dbraw/zinc/71/44/51/585714451.db2.gz KUEPLUHOBTWNKQ-UHFFFAOYSA-N 0 0 243.325 4.331 20 0 BIADRN Cc1ccc(NCc2ccc(CF)cc2)cc1F ZINC000777539999 585714473 /nfs/dbraw/zinc/71/44/73/585714473.db2.gz MKYVBYXSZWHGGZ-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1cc(NCc2ccc(CF)cc2)ccc1F ZINC000777540285 585714481 /nfs/dbraw/zinc/71/44/81/585714481.db2.gz IYRCCZZUUCUEEA-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1ccc(C)c(NCc2ccc(CF)cc2)c1 ZINC000777540650 585714596 /nfs/dbraw/zinc/71/45/96/585714596.db2.gz ORTOBCMWXBKMFH-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN Cc1ccccc1NCc1ccc(CF)cc1 ZINC000777540713 585714642 /nfs/dbraw/zinc/71/46/42/585714642.db2.gz PMKCJGFZPDMSKN-UHFFFAOYSA-N 0 0 229.298 4.077 20 0 BIADRN Cc1cccc(C)c1NCc1ccc(CF)cc1 ZINC000777540866 585714661 /nfs/dbraw/zinc/71/46/61/585714661.db2.gz QFKGDRREYJIPQQ-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN Cc1cc(C)cc(NCc2ccc(CF)cc2)c1 ZINC000777540869 585714610 /nfs/dbraw/zinc/71/46/10/585714610.db2.gz QHQKVBABKLAMMD-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN Cc1cc(F)cc(NCc2ccc(CF)cc2)c1 ZINC000777541051 585714535 /nfs/dbraw/zinc/71/45/35/585714535.db2.gz LQNAZPBHEWJPLL-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN FCc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000777541218 585714632 /nfs/dbraw/zinc/71/46/32/585714632.db2.gz TVKLXWWWCVTFGQ-UHFFFAOYSA-N 0 0 249.716 4.422 20 0 BIADRN Cc1ccc(NCc2ccc(CF)cc2)c(C)c1 ZINC000777541513 585714629 /nfs/dbraw/zinc/71/46/29/585714629.db2.gz WUKLHKQFTHUEBO-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN FCc1ccc(CNc2ccc(Cl)cc2)cc1 ZINC000777541553 585714606 /nfs/dbraw/zinc/71/46/06/585714606.db2.gz XLWRHNIPFOUPSG-UHFFFAOYSA-N 0 0 249.716 4.422 20 0 BIADRN Cc1cccc(NCc2ccc(CF)cc2)c1 ZINC000777541554 585714672 /nfs/dbraw/zinc/71/46/72/585714672.db2.gz XQTPILZUJOTMOE-UHFFFAOYSA-N 0 0 229.298 4.077 20 0 BIADRN Cc1ccc(NCc2ccc(CF)cc2)cc1C ZINC000777541560 585714580 /nfs/dbraw/zinc/71/45/80/585714580.db2.gz XUZWLZGXNQGKAY-UHFFFAOYSA-N 0 0 243.325 4.385 20 0 BIADRN Cc1ccc(NCc2ccc(CF)cc2)cc1 ZINC000777541575 585714454 /nfs/dbraw/zinc/71/44/54/585714454.db2.gz XYQMQNYFJHLNET-UHFFFAOYSA-N 0 0 229.298 4.077 20 0 BIADRN Cc1ccc(F)cc1NCc1ccc(CF)cc1 ZINC000777541576 585714558 /nfs/dbraw/zinc/71/45/58/585714558.db2.gz XYSYKMDVNGTASE-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1ccc(NCc2ccc(CF)cc2)c(F)c1 ZINC000777541651 585714539 /nfs/dbraw/zinc/71/45/39/585714539.db2.gz YXHXHECQPIDRBK-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1c(F)cccc1NCc1ccc(CF)cc1 ZINC000777541775 585714504 /nfs/dbraw/zinc/71/45/04/585714504.db2.gz QVGMEBQUGYRTKE-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1cccc(NCc2ccc(CF)cc2)c1F ZINC000777544480 585714865 /nfs/dbraw/zinc/71/48/65/585714865.db2.gz LLMNDDLUFQNWIP-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN Cc1cccc(F)c1NCc1ccc(CF)cc1 ZINC000777545676 585714913 /nfs/dbraw/zinc/71/49/13/585714913.db2.gz VGSSIPRVSBXWPB-UHFFFAOYSA-N 0 0 247.288 4.216 20 0 BIADRN c1ccc(SCc2ccc3c(c2)COC3)cc1 ZINC000777888346 585722373 /nfs/dbraw/zinc/72/23/73/585722373.db2.gz OMKQRSJQYADGOB-UHFFFAOYSA-N 0 0 242.343 4.009 20 0 BIADRN c1cc(CSC2CCCCC2)cc2c1COC2 ZINC000777891168 585722383 /nfs/dbraw/zinc/72/23/83/585722383.db2.gz XTFJZJQDZKEPAD-UHFFFAOYSA-N 0 0 248.391 4.283 20 0 BIADRN c1csc(SCc2ccc3c(c2)COC3)c1 ZINC000777922266 585723948 /nfs/dbraw/zinc/72/39/48/585723948.db2.gz BXSAULMAQNEINY-UHFFFAOYSA-N 0 0 248.372 4.071 20 0 BIADRN CCC(CC)SCc1ccc2c(c1)COC2 ZINC000777923726 585723958 /nfs/dbraw/zinc/72/39/58/585723958.db2.gz LYFNREXPRQJKEF-UHFFFAOYSA-N 0 0 236.380 4.139 20 0 BIADRN CCCCCSCc1ccc2c(c1)COC2 ZINC000777935994 585724218 /nfs/dbraw/zinc/72/42/18/585724218.db2.gz FZTHHUVTBPDRPZ-UHFFFAOYSA-N 0 0 236.380 4.140 20 0 BIADRN CCSCCSC[C@@H](C)c1ccccc1 ZINC000778051135 585725225 /nfs/dbraw/zinc/72/52/25/585725225.db2.gz QEPOFEKYRLUFMW-GFCCVEGCSA-N 0 0 240.437 4.276 20 0 BIADRN CCSCCSC[C@H](C)c1ccccc1 ZINC000778051136 585725307 /nfs/dbraw/zinc/72/53/07/585725307.db2.gz QEPOFEKYRLUFMW-LBPRGKRZSA-N 0 0 240.437 4.276 20 0 BIADRN CSCCSCCCc1cccc(C)c1 ZINC000778053874 585725211 /nfs/dbraw/zinc/72/52/11/585725211.db2.gz UVXPBHLLBQGTGW-UHFFFAOYSA-N 0 0 240.437 4.024 20 0 BIADRN c1cc(CSCC2CCCC2)cc2c1COC2 ZINC000778055253 585725205 /nfs/dbraw/zinc/72/52/05/585725205.db2.gz RVMYYAQPAZILSQ-UHFFFAOYSA-N 0 0 248.391 4.140 20 0 BIADRN CSCCSc1ccc2ccccc2c1 ZINC000778426335 585734535 /nfs/dbraw/zinc/73/45/35/585734535.db2.gz KDHCWBGKEWEPOO-UHFFFAOYSA-N 0 0 234.389 4.295 20 0 BIADRN CC(C)CCNc1c(F)cccc1NC(C)C ZINC000778612987 585738272 /nfs/dbraw/zinc/73/82/72/585738272.db2.gz DJTAOHUJSLKOAJ-UHFFFAOYSA-N 0 0 238.350 4.104 20 0 BIADRN CC[C@@H](C)CNc1c(F)cccc1NC(C)C ZINC000778613625 585738259 /nfs/dbraw/zinc/73/82/59/585738259.db2.gz LVZBDICWYAUDKG-LLVKDONJSA-N 0 0 238.350 4.104 20 0 BIADRN CC[C@H](C)CNc1c(F)cccc1NC(C)C ZINC000778613627 585738257 /nfs/dbraw/zinc/73/82/57/585738257.db2.gz LVZBDICWYAUDKG-NSHDSACASA-N 0 0 238.350 4.104 20 0 BIADRN CC(C)CCNc1ccc(F)cc1NC(C)C ZINC000778616433 585738187 /nfs/dbraw/zinc/73/81/87/585738187.db2.gz CWRUIMONNMVWPW-UHFFFAOYSA-N 0 0 238.350 4.104 20 0 BIADRN CC[C@@H](C)CNc1ccc(F)cc1NC(C)C ZINC000778617113 585738359 /nfs/dbraw/zinc/73/83/59/585738359.db2.gz OSNQQRYATOFIGR-LLVKDONJSA-N 0 0 238.350 4.104 20 0 BIADRN CC[C@H](C)CNc1ccc(F)cc1NC(C)C ZINC000778617114 585738364 /nfs/dbraw/zinc/73/83/64/585738364.db2.gz OSNQQRYATOFIGR-NSHDSACASA-N 0 0 238.350 4.104 20 0 BIADRN CC/C=C(/C)C(=O)Nc1csc2ccccc12 ZINC000779029084 585744145 /nfs/dbraw/zinc/74/41/45/585744145.db2.gz CTDKPQURJAFJGK-POHAHGRESA-N 0 0 245.347 4.196 20 0 BIADRN CC/C=C(\C)C(=O)Nc1csc2ccccc12 ZINC000779029086 585744483 /nfs/dbraw/zinc/74/44/83/585744483.db2.gz CTDKPQURJAFJGK-UXBLZVDNSA-N 0 0 245.347 4.196 20 0 BIADRN CCC/C=C/C(=O)Nc1csc2ccccc12 ZINC000779031376 585744383 /nfs/dbraw/zinc/74/43/83/585744383.db2.gz SRPBMZNRIGKYSU-RUDMXATFSA-N 0 0 245.347 4.196 20 0 BIADRN CCC/C=C\C(=O)Nc1csc2ccccc12 ZINC000779031377 585744296 /nfs/dbraw/zinc/74/42/96/585744296.db2.gz SRPBMZNRIGKYSU-WTKPLQERSA-N 0 0 245.347 4.196 20 0 BIADRN CCCCC[C@@H](C)Nc1cnn([C@H](C)C2CC2)c1 ZINC000779059314 585744554 /nfs/dbraw/zinc/74/45/54/585744554.db2.gz JSBKEULEXFNXEB-CHWSQXEVSA-N 0 0 249.402 4.235 20 0 BIADRN CCCCC[C@@H](C)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000779059315 585744623 /nfs/dbraw/zinc/74/46/23/585744623.db2.gz JSBKEULEXFNXEB-OLZOCXBDSA-N 0 0 249.402 4.235 20 0 BIADRN CCCCC[C@H](C)Nc1cnn([C@H](C)C2CC2)c1 ZINC000779059316 585744559 /nfs/dbraw/zinc/74/45/59/585744559.db2.gz JSBKEULEXFNXEB-QWHCGFSZSA-N 0 0 249.402 4.235 20 0 BIADRN CCCCC[C@H](C)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000779059317 585744642 /nfs/dbraw/zinc/74/46/42/585744642.db2.gz JSBKEULEXFNXEB-STQMWFEESA-N 0 0 249.402 4.235 20 0 BIADRN CC[C@@H](OC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000779275112 585749797 /nfs/dbraw/zinc/74/97/97/585749797.db2.gz VQPLUAKWBWQIKR-DZGCQCFKSA-N 0 0 244.334 4.037 20 0 BIADRN CC[C@H](OC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000779275113 585749940 /nfs/dbraw/zinc/74/99/40/585749940.db2.gz VQPLUAKWBWQIKR-HIFRSBDPSA-N 0 0 244.334 4.037 20 0 BIADRN CC[C@@H](OC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000779275114 585749820 /nfs/dbraw/zinc/74/98/20/585749820.db2.gz VQPLUAKWBWQIKR-UKRRQHHQSA-N 0 0 244.334 4.037 20 0 BIADRN CC(C)c1ccc(N[C@H](C)CCO)c(C(C)C)c1 ZINC000779422599 585754620 /nfs/dbraw/zinc/75/46/20/585754620.db2.gz JOZRUKXSVZYFEO-CYBMUJFWSA-N 0 0 249.398 4.116 20 0 BIADRN CC(C)c1ccc(N[C@@H](C)CCO)c(C(C)C)c1 ZINC000779422600 585754682 /nfs/dbraw/zinc/75/46/82/585754682.db2.gz JOZRUKXSVZYFEO-ZDUSSCGKSA-N 0 0 249.398 4.116 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1cccc(SC)c1 ZINC000779703129 585759093 /nfs/dbraw/zinc/75/90/93/585759093.db2.gz CZGARBQXPNTRFB-KHPPLWFESA-N 0 0 249.379 4.093 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1cccc(SC)c1 ZINC000779703130 585759053 /nfs/dbraw/zinc/75/90/53/585759053.db2.gz CZGARBQXPNTRFB-ZHACJKMWSA-N 0 0 249.379 4.093 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1ccc(Cl)cc1 ZINC000779703232 585759032 /nfs/dbraw/zinc/75/90/32/585759032.db2.gz GEOZWVKBZXBVPJ-KTKRTIGZSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1ccc(Cl)cc1 ZINC000779703237 585759170 /nfs/dbraw/zinc/75/91/70/585759170.db2.gz GEOZWVKBZXBVPJ-MDZDMXLPSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1Cl ZINC000779703513 585759089 /nfs/dbraw/zinc/75/90/89/585759089.db2.gz JBHQLYPKMDJIAW-KTKRTIGZSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1Cl ZINC000779703514 585759047 /nfs/dbraw/zinc/75/90/47/585759047.db2.gz JBHQLYPKMDJIAW-MDZDMXLPSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1c(C)cc(C)cc1C ZINC000779703902 585759107 /nfs/dbraw/zinc/75/91/07/585759107.db2.gz LGVTWDPEWDBQSK-KAMYIIQDSA-N 0 0 245.366 4.297 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1c(C)cc(C)cc1C ZINC000779703907 585759163 /nfs/dbraw/zinc/75/91/63/585759163.db2.gz LGVTWDPEWDBQSK-SDNWHVSQSA-N 0 0 245.366 4.297 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1cccc(Cl)c1 ZINC000779704651 585759139 /nfs/dbraw/zinc/75/91/39/585759139.db2.gz URBHUKCGNLZYPT-KTKRTIGZSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1cccc(Cl)c1 ZINC000779704652 585759169 /nfs/dbraw/zinc/75/91/69/585759169.db2.gz URBHUKCGNLZYPT-MDZDMXLPSA-N 0 0 237.730 4.025 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1c(C)cccc1CC ZINC000779704655 585759035 /nfs/dbraw/zinc/75/90/35/585759035.db2.gz USALPXPBRAQEQR-ACCUITESSA-N 0 0 245.366 4.242 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1c(C)cccc1CC ZINC000779704656 585759136 /nfs/dbraw/zinc/75/91/36/585759136.db2.gz USALPXPBRAQEQR-QBFSEMIESA-N 0 0 245.366 4.242 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1C(C)C ZINC000779713364 585759458 /nfs/dbraw/zinc/75/94/58/585759458.db2.gz MXKMFNMZSJVRAB-OUKQBFOZSA-N 0 0 245.366 4.495 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1C(C)C ZINC000779713365 585759526 /nfs/dbraw/zinc/75/95/26/585759526.db2.gz MXKMFNMZSJVRAB-SEYXRHQNSA-N 0 0 245.366 4.495 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1SC ZINC000779714196 585759427 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/nfs/dbraw/zinc/76/52/73/585765273.db2.gz OBBAYBZQCRAMMN-LHNRBYRGSA-N 0 0 245.366 4.000 20 0 BIADRN CC/C(C)=C(/C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000779806333 585765112 /nfs/dbraw/zinc/76/51/12/585765112.db2.gz OBBAYBZQCRAMMN-LLNWESEBSA-N 0 0 245.366 4.000 20 0 BIADRN CC/C(C)=C(\C)C(=O)N[C@H](CC)c1ccccc1 ZINC000779806334 585765430 /nfs/dbraw/zinc/76/54/30/585765430.db2.gz OBBAYBZQCRAMMN-RDRICISKSA-N 0 0 245.366 4.000 20 0 BIADRN CC/C(C)=C(/C)C(=O)N[C@H](CC)c1ccccc1 ZINC000779806335 585765442 /nfs/dbraw/zinc/76/54/42/585765442.db2.gz OBBAYBZQCRAMMN-WIDZWVOGSA-N 0 0 245.366 4.000 20 0 BIADRN CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000779807970 585765099 /nfs/dbraw/zinc/76/50/99/585765099.db2.gz UIUZVHRGBDKWDA-KBPBESRZSA-N 0 0 247.382 4.030 20 0 BIADRN CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000779807971 585765267 /nfs/dbraw/zinc/76/52/67/585765267.db2.gz UIUZVHRGBDKWDA-KGLIPLIRSA-N 0 0 247.382 4.030 20 0 BIADRN CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000779807972 585765171 /nfs/dbraw/zinc/76/51/71/585765171.db2.gz UIUZVHRGBDKWDA-UONOGXRCSA-N 0 0 247.382 4.030 20 0 BIADRN CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000779807973 585765418 /nfs/dbraw/zinc/76/54/18/585765418.db2.gz UIUZVHRGBDKWDA-ZIAGYGMSSA-N 0 0 247.382 4.030 20 0 BIADRN CC/C(C)=C(\C)C(=O)N(C1CC1)C1CCCCC1 ZINC000779817374 585766848 /nfs/dbraw/zinc/76/68/48/585766848.db2.gz FGDRNHHBCCALNP-OUKQBFOZSA-N 0 0 249.398 4.057 20 0 BIADRN CC/C(C)=C(/C)C(=O)N(C1CC1)C1CCCCC1 ZINC000779817377 585766833 /nfs/dbraw/zinc/76/68/33/585766833.db2.gz FGDRNHHBCCALNP-SEYXRHQNSA-N 0 0 249.398 4.057 20 0 BIADRN CCCc1ccccc1NC(=O)/C(C)=C(\C)CC ZINC000779832542 585767985 /nfs/dbraw/zinc/76/79/85/585767985.db2.gz PKBLGUWISKYPFN-OUKQBFOZSA-N 0 0 245.366 4.324 20 0 BIADRN CCCc1ccccc1NC(=O)/C(C)=C(/C)CC ZINC000779832543 585767994 /nfs/dbraw/zinc/76/79/94/585767994.db2.gz PKBLGUWISKYPFN-SEYXRHQNSA-N 0 0 245.366 4.324 20 0 BIADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000779955258 585770640 /nfs/dbraw/zinc/77/06/40/585770640.db2.gz VTDAKIDUQZVEOY-KLDSGFLGSA-N 0 0 239.403 4.064 20 0 BIADRN CC/C(C)=C(/C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000779955259 585770714 /nfs/dbraw/zinc/77/07/14/585770714.db2.gz VTDAKIDUQZVEOY-NPRUJURCSA-N 0 0 239.403 4.064 20 0 BIADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000779955260 585770751 /nfs/dbraw/zinc/77/07/51/585770751.db2.gz VTDAKIDUQZVEOY-OWRWYXLESA-N 0 0 239.403 4.064 20 0 BIADRN CC/C(C)=C(\C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000779955261 585770636 /nfs/dbraw/zinc/77/06/36/585770636.db2.gz VTDAKIDUQZVEOY-RVROTUBLSA-N 0 0 239.403 4.064 20 0 BIADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000780031472 585771845 /nfs/dbraw/zinc/77/18/45/585771845.db2.gz ITLBQOAZKVBBPM-QXMHVHEDSA-N 0 0 243.350 4.249 20 0 BIADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000780031475 585771986 /nfs/dbraw/zinc/77/19/86/585771986.db2.gz ITLBQOAZKVBBPM-VAWYXSNFSA-N 0 0 243.350 4.249 20 0 BIADRN CCCCC[C@](C)(CC)C(=O)Nc1cccnc1 ZINC000780147002 585773115 /nfs/dbraw/zinc/77/31/15/585773115.db2.gz IYEVIONXVJBQRN-HNNXBMFYSA-N 0 0 248.370 4.017 20 0 BIADRN CCCCC[C@@](C)(CC)C(=O)Nc1cccnc1 ZINC000780147005 585773231 /nfs/dbraw/zinc/77/32/31/585773231.db2.gz IYEVIONXVJBQRN-OAHLLOKOSA-N 0 0 248.370 4.017 20 0 BIADRN CCCCC[C@](C)(CC)C(=O)NC1CCCC1 ZINC000780155391 644725830 /nfs/dbraw/zinc/72/58/30/644725830.db2.gz IBKNILOVRWCDAN-HNNXBMFYSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@@](C)(CC)C(=O)NC1CCCC1 ZINC000780155392 644725739 /nfs/dbraw/zinc/72/57/39/644725739.db2.gz IBKNILOVRWCDAN-OAHLLOKOSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@](C)(CC)C(=O)Nc1ccccn1 ZINC000780296744 585777241 /nfs/dbraw/zinc/77/72/41/585777241.db2.gz DMIWHBHWYACMLV-HNNXBMFYSA-N 0 0 248.370 4.017 20 0 BIADRN CCCCC[C@@](C)(CC)C(=O)Nc1ccccn1 ZINC000780296748 585777242 /nfs/dbraw/zinc/77/72/42/585777242.db2.gz DMIWHBHWYACMLV-OAHLLOKOSA-N 0 0 248.370 4.017 20 0 BIADRN CCCCC[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC000780317103 585777635 /nfs/dbraw/zinc/77/76/35/585777635.db2.gz PXPPUIXSCRKBSZ-CYBMUJFWSA-N 0 0 239.403 4.042 20 0 BIADRN CCCCC[C@H](C)NC(=O)C1(C)CCCCC1 ZINC000780317104 585777701 /nfs/dbraw/zinc/77/77/01/585777701.db2.gz PXPPUIXSCRKBSZ-ZDUSSCGKSA-N 0 0 239.403 4.042 20 0 BIADRN CC(C)(C)CCCSc1ccc(Cl)nn1 ZINC000780337422 585778062 /nfs/dbraw/zinc/77/80/62/585778062.db2.gz AQYBVQOIOKIGEJ-UHFFFAOYSA-N 0 0 244.791 4.048 20 0 BIADRN C[C@@H]1CSC(SCCCC(C)(C)C)=N1 ZINC000780347748 585778251 /nfs/dbraw/zinc/77/82/51/585778251.db2.gz WTKVATWSRNIJDI-SECBINFHSA-N 0 0 231.430 4.037 20 0 BIADRN C[C@H]1CSC(SCCCC(C)(C)C)=N1 ZINC000780347769 585778170 /nfs/dbraw/zinc/77/81/70/585778170.db2.gz WTKVATWSRNIJDI-VIFPVBQESA-N 0 0 231.430 4.037 20 0 BIADRN CCCCC[C@](C)(CC)c1nc(C2CC2)no1 ZINC000780353181 585778231 /nfs/dbraw/zinc/77/82/31/585778231.db2.gz GRNAMZWAXBBJKM-AWEZNQCLSA-N 0 0 236.359 4.195 20 0 BIADRN CCCCC[C@@](C)(CC)c1nc(C2CC2)no1 ZINC000780353182 585778288 /nfs/dbraw/zinc/77/82/88/585778288.db2.gz GRNAMZWAXBBJKM-CQSZACIVSA-N 0 0 236.359 4.195 20 0 BIADRN CC(F)(F)c1cccc(NCc2ccoc2)c1 ZINC000780566141 585781385 /nfs/dbraw/zinc/78/13/85/585781385.db2.gz DDEIIDBXKFOFRU-UHFFFAOYSA-N 0 0 237.249 4.003 20 0 BIADRN CC/C(C)=C(\C)C(=O)N1CCCC12CCCCC2 ZINC000781001207 585788329 /nfs/dbraw/zinc/78/83/29/585788329.db2.gz ZGDWFFWLMNYKKD-BUHFOSPRSA-N 0 0 249.398 4.058 20 0 BIADRN CC/C(C)=C(/C)C(=O)N1CCCC12CCCCC2 ZINC000781001208 585788373 /nfs/dbraw/zinc/78/83/73/585788373.db2.gz ZGDWFFWLMNYKKD-YPKPFQOOSA-N 0 0 249.398 4.058 20 0 BIADRN CSCCSCc1ccccc1SC ZINC000781159776 585791767 /nfs/dbraw/zinc/79/17/67/585791767.db2.gz NLAWLRGMSMKODZ-UHFFFAOYSA-N 0 0 244.450 4.005 20 0 BIADRN CCCc1ccc(NC(=O)C2=CCCCC2)cc1 ZINC000782223988 585812574 /nfs/dbraw/zinc/81/25/74/585812574.db2.gz BFWMZIFKEZCBBX-UHFFFAOYSA-N 0 0 243.350 4.078 20 0 BIADRN Cc1oncc1CS[C@H](C)c1cccs1 ZINC000782282793 585813917 /nfs/dbraw/zinc/81/39/17/585813917.db2.gz MQIYSOYKAVMHHH-SECBINFHSA-N 0 0 239.365 4.039 20 0 BIADRN Cc1oncc1CS[C@@H](C)c1cccs1 ZINC000782282802 585813768 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ZINC000863988351 589333445 /nfs/dbraw/zinc/33/34/45/589333445.db2.gz MEXNASJWDZVHHJ-MRXNPFEDSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1ccc(N[C@H]2CCc3cccc(C)c32)cc1 ZINC000863988433 589333118 /nfs/dbraw/zinc/33/31/18/589333118.db2.gz PMHZGMSCPVLOFH-INIZCTEOSA-N 0 0 237.346 4.403 20 0 BIADRN Cc1ccc(N[C@@H]2CCc3cccc(C)c32)cc1 ZINC000863988434 589333363 /nfs/dbraw/zinc/33/33/63/589333363.db2.gz PMHZGMSCPVLOFH-MRXNPFEDSA-N 0 0 237.346 4.403 20 0 BIADRN Fc1ccc(CNc2ccc3occc3c2)cc1 ZINC000864017826 589333806 /nfs/dbraw/zinc/33/38/06/589333806.db2.gz ASFXDWPZHIRCBR-UHFFFAOYSA-N 0 0 241.265 4.184 20 0 BIADRN Cc1ccc(CNc2ccc3occc3c2)cc1 ZINC000864017828 589333826 /nfs/dbraw/zinc/33/38/26/589333826.db2.gz AXUGFKBEXFLOIR-UHFFFAOYSA-N 0 0 237.302 4.353 20 0 BIADRN c1cc2cc(NCc3ccccc3)ccc2o1 ZINC000864018048 589333618 /nfs/dbraw/zinc/33/36/18/589333618.db2.gz NUVNJUFNNIKUAB-UHFFFAOYSA-N 0 0 223.275 4.045 20 0 BIADRN Fc1ccccc1CNc1ccc2occc2c1 ZINC000864018056 589334002 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