smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1c2ccccc2[nH]c1C1CCCC1 ZINC000001519060 573465263 /nfs/dbraw/zinc/46/52/63/573465263.db2.gz MKFSMULTVHWDMQ-UHFFFAOYSA-N 0 0 185.270 3.826 20 0 AHADRN CCc1ccccc1-c1ccccc1 ZINC000001674254 697617421 /nfs/dbraw/zinc/61/74/21/697617421.db2.gz DLMYHUARHITGIJ-UHFFFAOYSA-N 0 0 182.266 3.916 20 0 AHADRN Cc1ccccc1Oc1ccccc1 ZINC000001696796 171215363 /nfs/dbraw/zinc/21/53/63/171215363.db2.gz WCOYPFBMFKXWBM-UHFFFAOYSA-N 0 0 184.238 3.787 20 0 AHADRN Cc1ccc(C2=CCCC2)cc1 ZINC000001711949 571784062 /nfs/dbraw/zinc/78/40/62/571784062.db2.gz NFSDKPOJUBHNPS-UHFFFAOYSA-N 0 0 158.244 3.562 20 0 AHADRN CC(C)Oc1ccc2ccccc2c1 ZINC000001726429 166561677 /nfs/dbraw/zinc/56/16/77/166561677.db2.gz VTIIVLSJEXKCQD-UHFFFAOYSA-N 0 0 186.254 3.627 20 0 AHADRN Cc1ccc(C)c(Cl)c1Cl ZINC000001728414 168804407 /nfs/dbraw/zinc/80/44/07/168804407.db2.gz UGHIQYNKFXEQPU-UHFFFAOYSA-N 0 0 175.058 3.610 20 0 AHADRN CCCCCOc1ccccc1Cl ZINC000001732344 486708321 /nfs/dbraw/zinc/70/83/21/486708321.db2.gz IJNXNBXJEKIJIV-UHFFFAOYSA-N 0 0 198.693 3.909 20 0 AHADRN CC[C@@H](C)Sc1ccc(C)cc1 ZINC000001733405 342962944 /nfs/dbraw/zinc/96/29/44/342962944.db2.gz WVCDEKCBKRHTQY-SNVBAGLBSA-N 0 0 180.316 3.886 20 0 AHADRN C=C(c1ccccc1)c1ccc(F)cc1 ZINC000001734589 166138770 /nfs/dbraw/zinc/13/87/70/166138770.db2.gz JKCDDOONAYOQEY-UHFFFAOYSA-N 0 0 198.240 3.887 20 0 AHADRN Oc1ccc(Cl)cc1C1CCCC1 ZINC000001850412 171003131 /nfs/dbraw/zinc/00/31/31/171003131.db2.gz LZUKCYHMVDGDBK-UHFFFAOYSA-N 0 0 196.677 3.703 20 0 in-vitro AHADRN Cc1ccc(C(C)C)c(OC(C)C)c1 ZINC000001999828 571786140 /nfs/dbraw/zinc/78/61/40/571786140.db2.gz NEDVUILHWFLOCF-UHFFFAOYSA-N 0 0 192.302 3.906 20 0 AHADRN CCCOc1cc(C)ccc1C(C)C ZINC000001999829 342966019 /nfs/dbraw/zinc/96/60/19/342966019.db2.gz ILDNMANLKZLCQO-UHFFFAOYSA-N 0 0 192.302 3.907 20 0 AHADRN CCCCSc1cccc(C)c1 ZINC000002003118 342966203 /nfs/dbraw/zinc/96/62/03/342966203.db2.gz ZBSYXBWBSAXZMZ-UHFFFAOYSA-N 0 0 180.316 3.887 20 0 AHADRN Cc1ccc(SCC(C)C)cc1 ZINC000002003120 342966180 /nfs/dbraw/zinc/96/61/80/342966180.db2.gz DLVHVWLLAJMHDY-UHFFFAOYSA-N 0 0 180.316 3.743 20 0 AHADRN Cc1cccc(SCC(C)C)c1 ZINC000002003121 342966215 /nfs/dbraw/zinc/96/62/15/342966215.db2.gz KRXIEQVZXKGPPE-UHFFFAOYSA-N 0 0 180.316 3.743 20 0 AHADRN Cc1c(Cl)cc(Cl)cc1Cl ZINC000002014997 342966926 /nfs/dbraw/zinc/96/69/26/342966926.db2.gz RCTKUIOMKBEGTG-UHFFFAOYSA-N 0 0 195.476 3.955 20 0 AHADRN CCCCCCOc1ccccc1F ZINC000002386015 697617732 /nfs/dbraw/zinc/61/77/32/697617732.db2.gz XIXOSIMYFBPPFE-UHFFFAOYSA-N 0 0 196.265 3.785 20 0 AHADRN CCSCSc1cccs1 ZINC000004661880 571826355 /nfs/dbraw/zinc/82/63/55/571826355.db2.gz WTYIHHBLXFORRQ-UHFFFAOYSA-N 0 0 190.358 3.551 20 0 AHADRN CC(C)Nc1ccc2ccccc2c1 ZINC000005138363 571837240 /nfs/dbraw/zinc/83/72/40/571837240.db2.gz SIZAEFGOHCBUPV-UHFFFAOYSA-N 0 0 185.270 3.660 20 0 AHADRN CCOc1cc(C)ccc1C(C)C ZINC000005650939 351346507 /nfs/dbraw/zinc/34/65/07/351346507.db2.gz XBHCIDWYCKQMQS-UHFFFAOYSA-N 0 0 178.275 3.517 20 0 AHADRN CCCCCOc1ccc(C)cc1 ZINC000005820733 343008817 /nfs/dbraw/zinc/00/88/17/343008817.db2.gz QWSTVRJDZCXFKN-UHFFFAOYSA-N 0 0 178.275 3.564 20 0 AHADRN CC[C@H](C)Sc1ccc(C)cc1 ZINC000006002825 343011171 /nfs/dbraw/zinc/01/11/71/343011171.db2.gz WVCDEKCBKRHTQY-JTQLQIEISA-N 0 0 180.316 3.886 20 0 AHADRN CC(C)c1ccccc1NCC1CC1 ZINC000008699717 171022114 /nfs/dbraw/zinc/02/21/14/171022114.db2.gz GKOFMMDUOUBYOJ-UHFFFAOYSA-N 0 0 189.302 3.632 20 0 AHADRN CCCCCc1nc(CCC)cs1 ZINC000013437588 166879554 /nfs/dbraw/zinc/87/95/54/166879554.db2.gz HZWDDRTWBCHNGJ-UHFFFAOYSA-N 0 0 197.347 3.828 20 0 endogenous,in-man AHADRN Cc1ccc(NC2CCCCC2)cc1 ZINC000019772136 343059974 /nfs/dbraw/zinc/05/99/74/343059974.db2.gz VIBIPXFOYXNBEO-UHFFFAOYSA-N 0 0 189.302 3.740 20 0 AHADRN Cc1ccc(N[C@H](C)C2CC2)c(C)c1 ZINC000019877434 168828170 /nfs/dbraw/zinc/82/81/70/168828170.db2.gz IVVGPZXWCSJRMS-LLVKDONJSA-N 0 0 189.302 3.514 20 0 AHADRN Cc1ccc(N[C@@H](C)C2CC2)c(C)c1 ZINC000019877435 343063013 /nfs/dbraw/zinc/06/30/13/343063013.db2.gz IVVGPZXWCSJRMS-NSHDSACASA-N 0 0 189.302 3.514 20 0 AHADRN CCC(CC)CNc1ccccc1 ZINC000019879258 582703098 /nfs/dbraw/zinc/70/30/98/582703098.db2.gz MNAIFPLCZNUSPH-UHFFFAOYSA-N 0 0 177.291 3.535 20 0 AHADRN CCCCNc1cccc(SC)c1 ZINC000019900668 166903636 /nfs/dbraw/zinc/90/36/36/166903636.db2.gz QRLZCGUAHBXWHW-UHFFFAOYSA-N 0 0 195.331 3.621 20 0 AHADRN CC(C)CNc1cccc2ccccc21 ZINC000019900810 582703616 /nfs/dbraw/zinc/70/36/16/582703616.db2.gz UNVUHPBFDILRHV-UHFFFAOYSA-N 0 0 199.297 3.908 20 0 AHADRN CCCCNc1ccc(SC)cc1 ZINC000019906470 630021414 /nfs/dbraw/zinc/02/14/14/630021414.db2.gz DGHFYBJOGHTIGF-UHFFFAOYSA-N 0 0 195.331 3.621 20 0 AHADRN Cc1ccc(N[C@H](C)C2CC2)cc1C ZINC000019920156 541301327 /nfs/dbraw/zinc/30/13/27/541301327.db2.gz WBVXXHMNYFXXCO-LLVKDONJSA-N 0 0 189.302 3.514 20 0 AHADRN Cc1ccc(N[C@@H](C)C2CC2)cc1C ZINC000019920157 541301271 /nfs/dbraw/zinc/30/12/71/541301271.db2.gz WBVXXHMNYFXXCO-NSHDSACASA-N 0 0 189.302 3.514 20 0 AHADRN Cc1ccc(N[C@H](C)C(C)C)cc1C ZINC000019920184 541301522 /nfs/dbraw/zinc/30/15/22/541301522.db2.gz SRFSDIOGPSTVNE-GFCCVEGCSA-N 0 0 191.318 3.760 20 0 AHADRN Cc1ccc(N[C@@H](C)C(C)C)cc1C ZINC000019920185 168827266 /nfs/dbraw/zinc/82/72/66/168827266.db2.gz SRFSDIOGPSTVNE-LBPRGKRZSA-N 0 0 191.318 3.760 20 0 AHADRN C[C@@H](Nc1cccc(Cl)c1)C1CC1 ZINC000019920373 168386152 /nfs/dbraw/zinc/38/61/52/168386152.db2.gz JRNFVKWCDWKSLL-MRVPVSSYSA-N 0 0 195.693 3.550 20 0 AHADRN C[C@H](Nc1cccc(Cl)c1)C1CC1 ZINC000019920375 343064522 /nfs/dbraw/zinc/06/45/22/343064522.db2.gz JRNFVKWCDWKSLL-QMMMGPOBSA-N 0 0 195.693 3.550 20 0 AHADRN C[C@@H](Nc1ccccc1Cl)C1CC1 ZINC000019942633 168385875 /nfs/dbraw/zinc/38/58/75/168385875.db2.gz JCUCHOFLBJFGJH-MRVPVSSYSA-N 0 0 195.693 3.550 20 0 AHADRN C[C@H](Nc1ccccc1Cl)C1CC1 ZINC000019942635 343064692 /nfs/dbraw/zinc/06/46/92/343064692.db2.gz JCUCHOFLBJFGJH-QMMMGPOBSA-N 0 0 195.693 3.550 20 0 AHADRN Cc1cc(C)cc(N[C@H](C)C2CC2)c1 ZINC000019952778 343065056 /nfs/dbraw/zinc/06/50/56/343065056.db2.gz XJLNBBNXSJVSSW-LLVKDONJSA-N 0 0 189.302 3.514 20 0 AHADRN Cc1cc(C)cc(N[C@@H](C)C2CC2)c1 ZINC000019952782 343064960 /nfs/dbraw/zinc/06/49/60/343064960.db2.gz XJLNBBNXSJVSSW-NSHDSACASA-N 0 0 189.302 3.514 20 0 AHADRN Cc1cccc(N[C@H](C)C2CC2)c1C ZINC000019964282 343065331 /nfs/dbraw/zinc/06/53/31/343065331.db2.gz QLVBLXDLPOWIBS-LLVKDONJSA-N 0 0 189.302 3.514 20 0 AHADRN Cc1cccc(N[C@@H](C)C2CC2)c1C ZINC000019964283 343065453 /nfs/dbraw/zinc/06/54/53/343065453.db2.gz QLVBLXDLPOWIBS-NSHDSACASA-N 0 0 189.302 3.514 20 0 AHADRN CCC[C@@H](C)Nc1ccc(C)cc1 ZINC000019964548 167035061 /nfs/dbraw/zinc/03/50/61/167035061.db2.gz XACLUNDGTDMWPK-LLVKDONJSA-N 0 0 177.291 3.596 20 0 AHADRN CCC[C@H](C)Nc1ccc(C)cc1 ZINC000019964549 167069410 /nfs/dbraw/zinc/06/94/10/167069410.db2.gz XACLUNDGTDMWPK-NSHDSACASA-N 0 0 177.291 3.596 20 0 AHADRN Cc1ccc(C)c(N[C@H](C)C2CC2)c1 ZINC000019964618 343065286 /nfs/dbraw/zinc/06/52/86/343065286.db2.gz OZXSWMLEEFAMIB-LLVKDONJSA-N 0 0 189.302 3.514 20 0 AHADRN Cc1ccc(C)c(N[C@@H](C)C2CC2)c1 ZINC000019964619 343065473 /nfs/dbraw/zinc/06/54/73/343065473.db2.gz OZXSWMLEEFAMIB-NSHDSACASA-N 0 0 189.302 3.514 20 0 AHADRN CCCCNc1ccc(CCC)cc1 ZINC000019994798 166902515 /nfs/dbraw/zinc/90/25/15/166902515.db2.gz XFBYSKPUQLPFKI-UHFFFAOYSA-N 0 0 191.318 3.851 20 0 AHADRN CCCCNc1cc(Cl)ccc1C ZINC000020005054 572207667 /nfs/dbraw/zinc/20/76/67/572207667.db2.gz RHJRXJPXZRJBHJ-UHFFFAOYSA-N 0 0 197.709 3.860 20 0 AHADRN CCC(CC)CNc1cccc(C)c1 ZINC000020017278 343066026 /nfs/dbraw/zinc/06/60/26/343066026.db2.gz QQOHRFWEZXYWCF-UHFFFAOYSA-N 0 0 191.318 3.843 20 0 AHADRN CCCCCNc1cccc(C)c1 ZINC000020034689 343066183 /nfs/dbraw/zinc/06/61/83/343066183.db2.gz KHCRBCUSPQYZBD-UHFFFAOYSA-N 0 0 177.291 3.597 20 0 AHADRN CCCCCNc1cc(F)ccc1F ZINC000020045035 166866873 /nfs/dbraw/zinc/86/68/73/166866873.db2.gz UBBNIOTUUYEEEX-UHFFFAOYSA-N 0 0 199.244 3.567 20 0 AHADRN CCCCCNc1ccc(F)c(F)c1 ZINC000020050325 343066232 /nfs/dbraw/zinc/06/62/32/343066232.db2.gz KJYDKDJOFUZZKP-UHFFFAOYSA-N 0 0 199.244 3.567 20 0 AHADRN CCCCCNc1cc(F)cc(F)c1 ZINC000020054605 541301567 /nfs/dbraw/zinc/30/15/67/541301567.db2.gz VPLCDVQNCUWATL-UHFFFAOYSA-N 0 0 199.244 3.567 20 0 AHADRN CCCCCNc1ccccc1C ZINC000020056217 343066801 /nfs/dbraw/zinc/06/68/01/343066801.db2.gz WEJICHKFGPHZJJ-UHFFFAOYSA-N 0 0 177.291 3.597 20 0 AHADRN CCCCCNc1c(F)cccc1F ZINC000020359429 343072019 /nfs/dbraw/zinc/07/20/19/343072019.db2.gz PPBJRZONOZQZAR-UHFFFAOYSA-N 0 0 199.244 3.567 20 0 AHADRN CCCCNc1ccc(C)c(Cl)c1 ZINC000020554042 572224439 /nfs/dbraw/zinc/22/44/39/572224439.db2.gz MOSSBYFTNBLNLE-UHFFFAOYSA-N 0 0 197.709 3.860 20 0 AHADRN CCC(CC)CNc1ccc(C)cc1 ZINC000021011958 343075223 /nfs/dbraw/zinc/07/52/23/343075223.db2.gz CTIDPNSZHDPMQT-UHFFFAOYSA-N 0 0 191.318 3.843 20 0 AHADRN CCC(CC)CNc1ccccc1C ZINC000021041747 166790667 /nfs/dbraw/zinc/79/06/67/166790667.db2.gz WLEFHPMVQXERNF-UHFFFAOYSA-N 0 0 191.318 3.843 20 0 AHADRN CCC[C@@H](C)CNc1ccccc1 ZINC000021502831 167029385 /nfs/dbraw/zinc/02/93/85/167029385.db2.gz SGFTXTPPMFHIGX-LLVKDONJSA-N 0 0 177.291 3.535 20 0 AHADRN CCC[C@H](C)CNc1ccccc1 ZINC000021502833 167067162 /nfs/dbraw/zinc/06/71/62/167067162.db2.gz SGFTXTPPMFHIGX-NSHDSACASA-N 0 0 177.291 3.535 20 0 AHADRN CCC(CC)CNc1ccc(F)cc1 ZINC000021515536 166792145 /nfs/dbraw/zinc/79/21/45/166792145.db2.gz JJGHARUHQKNWIL-UHFFFAOYSA-N 0 0 195.281 3.674 20 0 AHADRN Cc1ccc(NCC(C)C)cc1Cl ZINC000021518408 572247719 /nfs/dbraw/zinc/24/77/19/572247719.db2.gz UBPRJWSPYWCMOZ-UHFFFAOYSA-N 0 0 197.709 3.716 20 0 AHADRN CCC(CC)CNc1cccc(F)c1 ZINC000022147573 166792869 /nfs/dbraw/zinc/79/28/69/166792869.db2.gz DSSRUMLBEFHUTD-UHFFFAOYSA-N 0 0 195.281 3.674 20 0 AHADRN Cc1cc(C(C)(C)C)nc2ccccc12 ZINC000025999554 343087422 /nfs/dbraw/zinc/08/74/22/343087422.db2.gz ONSQZHIZZQDDPU-UHFFFAOYSA-N 0 0 199.297 3.841 20 0 AHADRN CCCCNc1c(C)cccc1C ZINC000032007038 537786323 /nfs/dbraw/zinc/78/63/23/537786323.db2.gz UMHATKUMNAUAPM-UHFFFAOYSA-N 0 0 177.291 3.515 20 0 AHADRN CCNc1c(C)cccc1C(C)C ZINC000032007060 167304447 /nfs/dbraw/zinc/30/44/47/167304447.db2.gz HKHLSQBGDUMKGR-UHFFFAOYSA-N 0 0 177.291 3.550 20 0 AHADRN CC(C)Nc1ccccc1C(C)(C)C ZINC000032008495 343096893 /nfs/dbraw/zinc/09/68/93/343096893.db2.gz LOJSWKVPOZYATN-UHFFFAOYSA-N 0 0 191.318 3.804 20 0 AHADRN Cc1cc(C)c(NC(C)C)c(Cl)c1 ZINC000032009602 537788087 /nfs/dbraw/zinc/78/80/87/537788087.db2.gz ULEMGKQBXVDWGY-UHFFFAOYSA-N 0 0 197.709 3.777 20 0 AHADRN c1ccc(SC2CCCC2)cc1 ZINC000032135456 343098274 /nfs/dbraw/zinc/09/82/74/343098274.db2.gz SCORASHVJVBFBT-UHFFFAOYSA-N 0 0 178.300 3.721 20 0 AHADRN c1csc(SC2CCCC2)c1 ZINC000032137248 343098107 /nfs/dbraw/zinc/09/81/07/343098107.db2.gz CHEHORWFRFOFAM-UHFFFAOYSA-N 0 0 184.329 3.783 20 0 AHADRN CC[C@@H](C)Sc1ccccc1C ZINC000032150910 343098567 /nfs/dbraw/zinc/09/85/67/343098567.db2.gz RBTGYCIUNBHQDZ-SNVBAGLBSA-N 0 0 180.316 3.886 20 0 AHADRN CC[C@H](C)Sc1ccccc1C ZINC000032150915 343098693 /nfs/dbraw/zinc/09/86/93/343098693.db2.gz RBTGYCIUNBHQDZ-JTQLQIEISA-N 0 0 180.316 3.886 20 0 AHADRN CC[C@@H](C)Sc1cccc(C)c1 ZINC000032150920 343098597 /nfs/dbraw/zinc/09/85/97/343098597.db2.gz HVVQXXNHDDESCX-SNVBAGLBSA-N 0 0 180.316 3.886 20 0 AHADRN CC[C@H](C)Sc1cccc(C)c1 ZINC000032150925 343098656 /nfs/dbraw/zinc/09/86/56/343098656.db2.gz HVVQXXNHDDESCX-JTQLQIEISA-N 0 0 180.316 3.886 20 0 AHADRN CCCCSc1ccccc1C ZINC000032150928 343098574 /nfs/dbraw/zinc/09/85/74/343098574.db2.gz RNLYLNHPQLCRFI-UHFFFAOYSA-N 0 0 180.316 3.887 20 0 AHADRN Cc1ccccc1SCC(C)C ZINC000032150940 343098582 /nfs/dbraw/zinc/09/85/82/343098582.db2.gz JSFCLQCJAFPJOR-UHFFFAOYSA-N 0 0 180.316 3.743 20 0 AHADRN CCCCSc1cccs1 ZINC000032153076 343098511 /nfs/dbraw/zinc/09/85/11/343098511.db2.gz PTTSDBWFNLNXII-UHFFFAOYSA-N 0 0 172.318 3.640 20 0 AHADRN CC(C)CCSc1ccccc1O ZINC000032153758 537789693 /nfs/dbraw/zinc/78/96/93/537789693.db2.gz RGUQSMKPPXZEGX-UHFFFAOYSA-N 0 0 196.315 3.530 20 0 AHADRN CCCCCSCCCC ZINC000032162375 343098929 /nfs/dbraw/zinc/09/89/29/343098929.db2.gz RNEUXBDXTNIASG-UHFFFAOYSA-N 0 0 160.326 3.710 20 0 AHADRN CCCCCS[C@@H](C)C(C)C ZINC000032162973 343098972 /nfs/dbraw/zinc/09/89/72/343098972.db2.gz SLWLCOPCNCAVOJ-JTQLQIEISA-N 0 0 174.353 3.954 20 0 AHADRN CCCCCS[C@H](C)C(C)C ZINC000032162975 343099057 /nfs/dbraw/zinc/09/90/57/343099057.db2.gz SLWLCOPCNCAVOJ-SNVBAGLBSA-N 0 0 174.353 3.954 20 0 AHADRN CCCCS[C@@H](C)C(C)C ZINC000032162977 343098959 /nfs/dbraw/zinc/09/89/59/343098959.db2.gz CZKUFTNGZKIOPM-VIFPVBQESA-N 0 0 160.326 3.564 20 0 AHADRN CCCCS[C@H](C)C(C)C ZINC000032162979 343099025 /nfs/dbraw/zinc/09/90/25/343099025.db2.gz CZKUFTNGZKIOPM-SECBINFHSA-N 0 0 160.326 3.564 20 0 AHADRN CCCCCCSC(C)C ZINC000032163072 571969990 /nfs/dbraw/zinc/96/99/90/571969990.db2.gz AZRYPBPEFHGTEL-UHFFFAOYSA-N 0 0 160.326 3.708 20 0 AHADRN CCCCCSCC(C)C ZINC000032163090 343099049 /nfs/dbraw/zinc/09/90/49/343099049.db2.gz JALCXYOVTGIVLA-UHFFFAOYSA-N 0 0 160.326 3.566 20 0 AHADRN CCCCCSCCC(C)C ZINC000032163095 343099028 /nfs/dbraw/zinc/09/90/28/343099028.db2.gz XUNPTYBWYTYKIS-UHFFFAOYSA-N 0 0 174.353 3.956 20 0 AHADRN CCCCSCCC(C)C ZINC000032163097 343099032 /nfs/dbraw/zinc/09/90/32/343099032.db2.gz PSEUPOGUWGHLIJ-UHFFFAOYSA-N 0 0 160.326 3.566 20 0 AHADRN CC[C@@H](C)S[C@@H](C)C(C)C ZINC000032163123 343098895 /nfs/dbraw/zinc/09/88/95/343098895.db2.gz VAMBGYNCDFSVMB-BDAKNGLRSA-N 0 0 160.326 3.563 20 0 AHADRN CC[C@H](C)S[C@@H](C)C(C)C ZINC000032163125 343098883 /nfs/dbraw/zinc/09/88/83/343098883.db2.gz VAMBGYNCDFSVMB-IUCAKERBSA-N 0 0 160.326 3.563 20 0 AHADRN CC[C@@H](C)S[C@H](C)C(C)C ZINC000032163127 343098899 /nfs/dbraw/zinc/09/88/99/343098899.db2.gz VAMBGYNCDFSVMB-RKDXNWHRSA-N 0 0 160.326 3.563 20 0 AHADRN CC[C@H](C)S[C@H](C)C(C)C ZINC000032163129 343098877 /nfs/dbraw/zinc/09/88/77/343098877.db2.gz VAMBGYNCDFSVMB-DTWKUNHWSA-N 0 0 160.326 3.563 20 0 AHADRN CCCCCS[C@@H](C)CC ZINC000032163181 343098901 /nfs/dbraw/zinc/09/89/01/343098901.db2.gz VKQVRBILRUNEDJ-VIFPVBQESA-N 0 0 160.326 3.708 20 0 AHADRN CCCCCS[C@H](C)CC ZINC000032163182 343098961 /nfs/dbraw/zinc/09/89/61/343098961.db2.gz VKQVRBILRUNEDJ-SECBINFHSA-N 0 0 160.326 3.708 20 0 AHADRN CC[C@@H](C)Sc1cccs1 ZINC000032166846 343099442 /nfs/dbraw/zinc/09/94/42/343099442.db2.gz MGLRFPVDQZHEOJ-SSDOTTSWSA-N 0 0 172.318 3.639 20 0 AHADRN CC[C@H](C)Sc1cccs1 ZINC000032166848 343099433 /nfs/dbraw/zinc/09/94/33/343099433.db2.gz MGLRFPVDQZHEOJ-ZETCQYMHSA-N 0 0 172.318 3.639 20 0 AHADRN C1CCC(SC2CCCCC2)C1 ZINC000032183839 343100172 /nfs/dbraw/zinc/10/01/72/343100172.db2.gz LKVTZFPQPRYSEH-UHFFFAOYSA-N 0 0 184.348 3.995 20 0 AHADRN CC[C@@H](C)SC1CCCCC1 ZINC000032188031 343100085 /nfs/dbraw/zinc/10/00/85/343100085.db2.gz BPQBIKVCRYZWCT-SECBINFHSA-N 0 0 172.337 3.851 20 0 AHADRN CC[C@H](C)SC1CCCCC1 ZINC000032188032 343100150 /nfs/dbraw/zinc/10/01/50/343100150.db2.gz BPQBIKVCRYZWCT-VIFPVBQESA-N 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Cc1ccc(C=CNc2ccco2)cc1 ZINC001176424162 761438629 /nfs/dbraw/zinc/43/86/29/761438629.db2.gz QVYYUFMWIOQDNU-CMDGGOBGSA-N 0 0 199.253 3.671 20 0 AHADRN c1coc(Nc2cccc(C3CC3)c2)c1 ZINC001176723803 761442360 /nfs/dbraw/zinc/44/23/60/761442360.db2.gz OJXNFTFBWABWRH-UHFFFAOYSA-N 0 0 199.253 3.901 20 0 AHADRN Clc1ccc(Nc2ccco2)cc1 ZINC001176726883 761438695 /nfs/dbraw/zinc/43/86/95/761438695.db2.gz ZDJDLJDSEWOVKP-UHFFFAOYSA-N 0 0 193.633 3.677 20 0 AHADRN CCC(CC)CSCC(C)C ZINC001188101969 761582571 /nfs/dbraw/zinc/58/25/71/761582571.db2.gz GRBSMHKAAOLWRP-UHFFFAOYSA-N 0 0 174.353 3.812 20 0 AHADRN C(CSC1CCCC1)CC1CC1 ZINC001188162215 761584681 /nfs/dbraw/zinc/58/46/81/761584681.db2.gz HMEOTIODYZJZSZ-UHFFFAOYSA-N 0 0 184.348 3.852 20 0 AHADRN c1coc(CSCCCC2CC2)c1 ZINC001188193176 761583836 /nfs/dbraw/zinc/58/38/36/761583836.db2.gz XIRXFTVRNAQRBB-UHFFFAOYSA-N 0 0 196.315 3.703 20 0 AHADRN Cc1ccc(C)c(SC2CCC2)c1 ZINC001188244084 761583452 /nfs/dbraw/zinc/58/34/52/761583452.db2.gz 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/nfs/dbraw/zinc/58/91/16/761589116.db2.gz NQDSYRLVGIWRHG-WHXYTISESA-N 0 0 192.755 3.907 20 0 AHADRN CC[C@@H]1C[C@H]1CSCC(C)(C)C ZINC001189332602 761590963 /nfs/dbraw/zinc/59/09/63/761590963.db2.gz KXXKJMOIZLNPEE-ZJUUUORDSA-N 0 0 186.364 3.812 20 0 AHADRN C=C/C=C\CCSCC(C)(C)C ZINC001189333755 761588520 /nfs/dbraw/zinc/58/85/20/761588520.db2.gz ZJSXFQOVTCDPCT-SREVYHEPSA-N 0 0 184.348 3.898 20 0 AHADRN C=C/C=C/CCSCC(C)(C)C ZINC001189333756 761587141 /nfs/dbraw/zinc/58/71/41/761587141.db2.gz ZJSXFQOVTCDPCT-VOTSOKGWSA-N 0 0 184.348 3.898 20 0 AHADRN C(SC1CCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001189391767 761590224 /nfs/dbraw/zinc/59/02/24/761590224.db2.gz JQXGVYZDULETPI-MXWKQRLJSA-N 0 0 196.359 3.708 20 0 AHADRN C(SC1CCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001189391768 761589017 /nfs/dbraw/zinc/58/90/17/761589017.db2.gz JQXGVYZDULETPI-OUAUKWLOSA-N 0 0 196.359 3.708 20 0 AHADRN C(CSCC1CC1)CC1CCC1 ZINC001189423221 761586631 /nfs/dbraw/zinc/58/66/31/761586631.db2.gz CBHWTCBPBKIHLY-UHFFFAOYSA-N 0 0 184.348 3.710 20 0 AHADRN C(SC[C@@H]1C[C@H]2C[C@H]2C1)C1CCC1 ZINC001189817601 761592616 /nfs/dbraw/zinc/59/26/16/761592616.db2.gz UEYYNFFHBVLPIL-ZSBIGDGJSA-N 0 0 196.359 3.566 20 0 AHADRN CCCSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001189832530 761597165 /nfs/dbraw/zinc/59/71/65/761597165.db2.gz NWVBVBQJIJBMBX-MXWKQRLJSA-N 0 0 184.348 3.566 20 0 AHADRN CCCSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001189832532 761591771 /nfs/dbraw/zinc/59/17/71/761591771.db2.gz NWVBVBQJIJBMBX-OUAUKWLOSA-N 0 0 184.348 3.566 20 0 AHADRN CC[C@H](C)SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001189833566 761597047 /nfs/dbraw/zinc/59/70/47/761597047.db2.gz YXLSXBWPEVYYBW-QCNOEVLYSA-N 0 0 198.375 3.954 20 0 AHADRN CC[C@H](C)SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001189833568 761594849 /nfs/dbraw/zinc/59/48/49/761594849.db2.gz YXLSXBWPEVYYBW-WHOHXGKFSA-N 0 0 198.375 3.954 20 0 AHADRN CC(C)C(C)(C)CSCC1CC1 ZINC001190104556 761594950 /nfs/dbraw/zinc/59/49/50/761594950.db2.gz SXCYNLVAIUSWEA-UHFFFAOYSA-N 0 0 186.364 3.812 20 0 AHADRN CC[C@@H](C)SCc1ccc(C)o1 ZINC001190185514 761597030 /nfs/dbraw/zinc/59/70/30/761597030.db2.gz KTSMUQFZVZJKAT-SECBINFHSA-N 0 0 184.304 3.620 20 0 AHADRN CC[C@H](C)SCc1ccc(C)o1 ZINC001190185516 761591927 /nfs/dbraw/zinc/59/19/27/761591927.db2.gz KTSMUQFZVZJKAT-VIFPVBQESA-N 0 0 184.304 3.620 20 0 AHADRN CC(C)CCCN(C)c1ccsc1 ZINC001195670983 761701130 /nfs/dbraw/zinc/70/11/30/761701130.db2.gz WFFBBTNRZYNDJZ-UHFFFAOYSA-N 0 0 197.347 3.621 20 0 AHADRN c1coc(Nc2ccc(C3CC3)cc2)c1 ZINC001201674625 761803504 /nfs/dbraw/zinc/80/35/04/761803504.db2.gz FUYLNKKHMORXDZ-UHFFFAOYSA-N 0 0 199.253 3.901 20 0 AHADRN c1coc(Nc2coc3ccccc23)c1 ZINC001203146300 761832724 /nfs/dbraw/zinc/83/27/24/761832724.db2.gz KHWNDGUGUARFCC-UHFFFAOYSA-N 0 0 199.209 3.769 20 0 AHADRN c1cc(Nc2coc3ccccc23)co1 ZINC001203147068 761834420 /nfs/dbraw/zinc/83/44/20/761834420.db2.gz YKPGPGAGLCHDML-UHFFFAOYSA-N 0 0 199.209 3.769 20 0 AHADRN CC(C)O[C@H](c1ccccc1)C1CC1 ZINC001204598139 761855671 /nfs/dbraw/zinc/85/56/71/761855671.db2.gz KZMNHQFZPYJTFZ-CYBMUJFWSA-N 0 0 190.286 3.563 20 0 AHADRN CC(C)O[C@@H](c1ccccc1)C1CC1 ZINC001204598140 761856493 /nfs/dbraw/zinc/85/64/93/761856493.db2.gz KZMNHQFZPYJTFZ-ZDUSSCGKSA-N 0 0 190.286 3.563 20 0 AHADRN CC[C@@H](C)C[C@@H](CC)OC(C)C ZINC001204604262 761856239 /nfs/dbraw/zinc/85/62/39/761856239.db2.gz DWGPVUARROFYAG-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)C[C@H](CC)OC(C)C ZINC001204604263 761855487 /nfs/dbraw/zinc/85/54/87/761855487.db2.gz DWGPVUARROFYAG-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)C[C@H](CC)OC(C)C ZINC001204604264 761855337 /nfs/dbraw/zinc/85/53/37/761855337.db2.gz DWGPVUARROFYAG-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C[C@@H](C)CC)OC(C)C ZINC001204604265 761856374 /nfs/dbraw/zinc/85/63/74/761856374.db2.gz DWGPVUARROFYAG-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@@H](OC(C)C)[C@H](C)CC ZINC001204604725 761856405 /nfs/dbraw/zinc/85/64/05/761856405.db2.gz ITAOINPIWKLITL-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](OC(C)C)[C@H](C)CC ZINC001204604731 761856060 /nfs/dbraw/zinc/85/60/60/761856060.db2.gz ITAOINPIWKLITL-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](OC(C)C)[C@@H](C)CC ZINC001204604733 761855192 /nfs/dbraw/zinc/85/51/92/761855192.db2.gz ITAOINPIWKLITL-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@@H](OC(C)C)[C@@H](C)CC ZINC001204604736 761856498 /nfs/dbraw/zinc/85/64/98/761856498.db2.gz ITAOINPIWKLITL-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN CC(C)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001204604874 761854999 /nfs/dbraw/zinc/85/49/99/761854999.db2.gz KYJZQWYLPZAEKE-FRRDWIJNSA-N 0 0 196.334 3.770 20 0 AHADRN CC(C)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001204604875 761855826 /nfs/dbraw/zinc/85/58/26/761855826.db2.gz KYJZQWYLPZAEKE-RWMBFGLXSA-N 0 0 196.334 3.770 20 0 AHADRN CC(C)O[C@H](C)c1ccccc1Cl ZINC001204604908 761855755 /nfs/dbraw/zinc/85/57/55/761855755.db2.gz LIXBHDZXPPGGDZ-SECBINFHSA-N 0 0 198.693 3.826 20 0 AHADRN CC(C)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC001204604956 761855569 /nfs/dbraw/zinc/85/55/69/761855569.db2.gz LYYUOFVMXSNALH-DMDPSCGWSA-N 0 0 196.334 3.626 20 0 AHADRN CC(C)CC(CC(C)C)OC(C)C ZINC001204605016 761856538 /nfs/dbraw/zinc/85/65/38/761856538.db2.gz MXBMNDJBQIIHOL-UHFFFAOYSA-N 0 0 186.339 3.872 20 0 AHADRN CCCC1CCC(OC(C)C)CC1 ZINC001204605295 761856217 /nfs/dbraw/zinc/85/62/17/761856217.db2.gz ROPNGVHBVCPQRD-UHFFFAOYSA-N 0 0 184.323 3.770 20 0 AHADRN CC(C)O[C@@H](C)c1ccc(Cl)cc1 ZINC001204605296 761855704 /nfs/dbraw/zinc/85/57/04/761855704.db2.gz RRBBCOJKKSGUKE-VIFPVBQESA-N 0 0 198.693 3.826 20 0 AHADRN CC(C)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001204605507 761856264 /nfs/dbraw/zinc/85/62/64/761856264.db2.gz VBNOVKWXAJFOJB-GHMZBOCLSA-N 0 0 184.323 3.626 20 0 AHADRN CC(C)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001204605508 761854987 /nfs/dbraw/zinc/85/49/87/761854987.db2.gz VBNOVKWXAJFOJB-MNOVXSKESA-N 0 0 184.323 3.626 20 0 AHADRN CC(C)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001204605509 761855805 /nfs/dbraw/zinc/85/58/05/761855805.db2.gz VBNOVKWXAJFOJB-QWRGUYRKSA-N 0 0 184.323 3.626 20 0 AHADRN CC(C)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001204605510 761855925 /nfs/dbraw/zinc/85/59/25/761855925.db2.gz VBNOVKWXAJFOJB-WDEREUQCSA-N 0 0 184.323 3.626 20 0 AHADRN CC(C)CCC[C@@H](C)OC(C)C ZINC001204605538 761856473 /nfs/dbraw/zinc/85/64/73/761856473.db2.gz WEWYRPIXYNRYNI-LLVKDONJSA-N 0 0 172.312 3.626 20 0 AHADRN CC(C)CCC[C@H](C)OC(C)C ZINC001204605539 761855360 /nfs/dbraw/zinc/85/53/60/761855360.db2.gz WEWYRPIXYNRYNI-NSHDSACASA-N 0 0 172.312 3.626 20 0 AHADRN CCC(CC)[C@@H](CC)OC(C)C ZINC001204605549 761855382 /nfs/dbraw/zinc/85/53/82/761855382.db2.gz XCXFBWUPAQUCLM-LLVKDONJSA-N 0 0 172.312 3.626 20 0 AHADRN CCC(CC)[C@H](CC)OC(C)C ZINC001204605550 761855552 /nfs/dbraw/zinc/85/55/52/761855552.db2.gz XCXFBWUPAQUCLM-NSHDSACASA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)CC[C@@H](C)OC(C)C ZINC001204610356 761855241 /nfs/dbraw/zinc/85/52/41/761855241.db2.gz BFPYWAHQUANSRQ-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)CC[C@H](C)OC(C)C ZINC001204610357 761856532 /nfs/dbraw/zinc/85/65/32/761856532.db2.gz BFPYWAHQUANSRQ-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)CC[C@H](C)OC(C)C ZINC001204610358 761855158 /nfs/dbraw/zinc/85/51/58/761855158.db2.gz BFPYWAHQUANSRQ-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)CC[C@@H](C)OC(C)C ZINC001204610359 761855633 /nfs/dbraw/zinc/85/56/33/761855633.db2.gz BFPYWAHQUANSRQ-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@@H]1CCCC[C@@H]1OC(C)C ZINC001204610441 761855795 /nfs/dbraw/zinc/85/57/95/761855795.db2.gz CVZPHKZEUMGDHE-NEPJUHHUSA-N 0 0 184.323 3.770 20 0 AHADRN CCC[C@H]1CCCC[C@H]1OC(C)C ZINC001204610442 761856253 /nfs/dbraw/zinc/85/62/53/761856253.db2.gz CVZPHKZEUMGDHE-NWDGAFQWSA-N 0 0 184.323 3.770 20 0 AHADRN CCC[C@H]1CCCC[C@@H]1OC(C)C ZINC001204610443 761855494 /nfs/dbraw/zinc/85/54/94/761855494.db2.gz CVZPHKZEUMGDHE-RYUDHWBXSA-N 0 0 184.323 3.770 20 0 AHADRN CCC[C@@H]1CCCC[C@H]1OC(C)C ZINC001204610444 761855331 /nfs/dbraw/zinc/85/53/31/761855331.db2.gz CVZPHKZEUMGDHE-VXGBXAGGSA-N 0 0 184.323 3.770 20 0 AHADRN CCCC/C=C/[C@@H](C)OC(C)C ZINC001204610711 761858037 /nfs/dbraw/zinc/85/80/37/761858037.db2.gz FWDVLNFZWIUYGJ-ANYFNZRUSA-N 0 0 170.296 3.546 20 0 AHADRN CCCC/C=C/[C@H](C)OC(C)C ZINC001204610712 761857612 /nfs/dbraw/zinc/85/76/12/761857612.db2.gz FWDVLNFZWIUYGJ-FBOQAHMBSA-N 0 0 170.296 3.546 20 0 AHADRN CCC[C@@H](OC(C)C)c1ccccc1 ZINC001204611316 761856929 /nfs/dbraw/zinc/85/69/29/761856929.db2.gz LQCWGGRTOOXVNA-CYBMUJFWSA-N 0 0 192.302 3.953 20 0 AHADRN CCC[C@H](OC(C)C)c1ccccc1 ZINC001204611317 761857910 /nfs/dbraw/zinc/85/79/10/761857910.db2.gz LQCWGGRTOOXVNA-ZDUSSCGKSA-N 0 0 192.302 3.953 20 0 AHADRN CC/C=C(\C)[C@@H](CC)OC(C)C ZINC001204611348 761858374 /nfs/dbraw/zinc/85/83/74/761858374.db2.gz MCPQYVKFBRXLLX-RJCSOLBVSA-N 0 0 170.296 3.546 20 0 AHADRN CC/C=C(\C)[C@H](CC)OC(C)C ZINC001204611349 761857202 /nfs/dbraw/zinc/85/72/02/761857202.db2.gz MCPQYVKFBRXLLX-UQSGXBNBSA-N 0 0 170.296 3.546 20 0 AHADRN CCC[C@@H](C)[C@@H](OC(C)C)C(C)C ZINC001204611508 761857941 /nfs/dbraw/zinc/85/79/41/761857941.db2.gz NKEBLXNXGLXUIA-NEPJUHHUSA-N 0 0 186.339 3.872 20 0 AHADRN CCC[C@H](C)[C@H](OC(C)C)C(C)C ZINC001204611509 761856771 /nfs/dbraw/zinc/85/67/71/761856771.db2.gz NKEBLXNXGLXUIA-NWDGAFQWSA-N 0 0 186.339 3.872 20 0 AHADRN CCC[C@H](C)[C@@H](OC(C)C)C(C)C ZINC001204611510 761856859 /nfs/dbraw/zinc/85/68/59/761856859.db2.gz NKEBLXNXGLXUIA-RYUDHWBXSA-N 0 0 186.339 3.872 20 0 AHADRN CCC[C@@H](C)[C@H](OC(C)C)C(C)C ZINC001204611511 761857820 /nfs/dbraw/zinc/85/78/20/761857820.db2.gz NKEBLXNXGLXUIA-VXGBXAGGSA-N 0 0 186.339 3.872 20 0 AHADRN CC(C)O[C@H]1CC[C@H](C(C)C)CC1 ZINC001204611529 761857882 /nfs/dbraw/zinc/85/78/82/761857882.db2.gz NZVRLKINGUZPGO-HAQNSBGRSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1cccs1 ZINC001204611542 761857518 /nfs/dbraw/zinc/85/75/18/761857518.db2.gz OCYXNNQAKHDUBZ-BDAKNGLRSA-N 0 0 184.304 3.624 20 0 AHADRN CC[C@H](C)O[C@H](C)c1cccs1 ZINC001204611544 761858412 /nfs/dbraw/zinc/85/84/12/761858412.db2.gz OCYXNNQAKHDUBZ-DTWKUNHWSA-N 0 0 184.304 3.624 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1cccs1 ZINC001204611545 761857282 /nfs/dbraw/zinc/85/72/82/761857282.db2.gz OCYXNNQAKHDUBZ-IUCAKERBSA-N 0 0 184.304 3.624 20 0 AHADRN CC[C@@H](C)O[C@H](C)c1cccs1 ZINC001204611547 761857978 /nfs/dbraw/zinc/85/79/78/761857978.db2.gz OCYXNNQAKHDUBZ-RKDXNWHRSA-N 0 0 184.304 3.624 20 0 AHADRN CC(C)=CCC[C@@H](C)OC(C)C ZINC001204611651 761856956 /nfs/dbraw/zinc/85/69/56/761856956.db2.gz PNBGLBGXNMONSW-LLVKDONJSA-N 0 0 170.296 3.546 20 0 AHADRN CC(C)=CCC[C@H](C)OC(C)C ZINC001204611652 761857453 /nfs/dbraw/zinc/85/74/53/761857453.db2.gz PNBGLBGXNMONSW-NSHDSACASA-N 0 0 170.296 3.546 20 0 AHADRN CCC[C@@H](C)[C@@H](CC)OC(C)C ZINC001204611926 761858388 /nfs/dbraw/zinc/85/83/88/761858388.db2.gz RMOPDKXCDWWYFW-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@@H](C)[C@H](CC)OC(C)C ZINC001204611927 761857234 /nfs/dbraw/zinc/85/72/34/761857234.db2.gz RMOPDKXCDWWYFW-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](C)[C@H](CC)OC(C)C ZINC001204611928 761857681 /nfs/dbraw/zinc/85/76/81/761857681.db2.gz RMOPDKXCDWWYFW-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](C)[C@@H](CC)OC(C)C ZINC001204611929 761857168 /nfs/dbraw/zinc/85/71/68/761857168.db2.gz RMOPDKXCDWWYFW-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN C/C=C/[C@@H](OC(C)C)C1CCCCC1 ZINC001204611938 761858190 /nfs/dbraw/zinc/85/81/90/761858190.db2.gz RSXYJAZOSDUZRB-FLUIGGAXSA-N 0 0 196.334 3.936 20 0 AHADRN C/C=C/[C@H](OC(C)C)C1CCCCC1 ZINC001204611939 761857462 /nfs/dbraw/zinc/85/74/62/761857462.db2.gz RSXYJAZOSDUZRB-GBVBUYCNSA-N 0 0 196.334 3.936 20 0 AHADRN CC(C)O[C@H](C)c1cccc(Cl)c1 ZINC001204612240 761856926 /nfs/dbraw/zinc/85/69/26/761856926.db2.gz WDMOMSUCRAAEQB-SECBINFHSA-N 0 0 198.693 3.826 20 0 AHADRN CC(C)O[C@@H](C)c1cccc(Cl)c1 ZINC001204612241 761857935 /nfs/dbraw/zinc/85/79/35/761857935.db2.gz WDMOMSUCRAAEQB-VIFPVBQESA-N 0 0 198.693 3.826 20 0 AHADRN CC[C@@H](OC(C)C)c1ccccc1F ZINC001204612242 761858292 /nfs/dbraw/zinc/85/82/92/761858292.db2.gz WIEYFBCCYGOFMB-GFCCVEGCSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@H](OC(C)C)c1ccccc1F ZINC001204612243 761857379 /nfs/dbraw/zinc/85/73/79/761857379.db2.gz WIEYFBCCYGOFMB-LBPRGKRZSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@@H](OC(C)C)C1CCCCC1 ZINC001204612404 761856988 /nfs/dbraw/zinc/85/69/88/761856988.db2.gz ZGHCVUMAHKCPIL-GFCCVEGCSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](OC(C)C)C1CCCCC1 ZINC001204612408 761857880 /nfs/dbraw/zinc/85/78/80/761857880.db2.gz ZGHCVUMAHKCPIL-LBPRGKRZSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)O[C@H](C)CCC(C)C ZINC001204619371 761857851 /nfs/dbraw/zinc/85/78/51/761857851.db2.gz ADPBACAMTXIPLY-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)O[C@@H](C)CCC(C)C ZINC001204619373 761857308 /nfs/dbraw/zinc/85/73/08/761857308.db2.gz ADPBACAMTXIPLY-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)O[C@@H](C)CCC(C)C ZINC001204619379 761857318 /nfs/dbraw/zinc/85/73/18/761857318.db2.gz ADPBACAMTXIPLY-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)O[C@H](C)CCC(C)C ZINC001204619380 761857157 /nfs/dbraw/zinc/85/71/57/761857157.db2.gz ADPBACAMTXIPLY-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)O[C@H](C)c1ccccc1F ZINC001204619548 761857801 /nfs/dbraw/zinc/85/78/01/761857801.db2.gz AYTVSAOIPVEINK-NXEZZACHSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1ccccc1F ZINC001204619550 761857179 /nfs/dbraw/zinc/85/71/79/761857179.db2.gz AYTVSAOIPVEINK-UWVGGRQHSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@H](C)O[C@H](C)c1ccccc1F ZINC001204619552 761858061 /nfs/dbraw/zinc/85/80/61/761858061.db2.gz AYTVSAOIPVEINK-VHSXEESVSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1ccccc1F ZINC001204619554 761857252 /nfs/dbraw/zinc/85/72/52/761857252.db2.gz AYTVSAOIPVEINK-ZJUUUORDSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1cccc(C)c1 ZINC001204620325 761857394 /nfs/dbraw/zinc/85/73/94/761857394.db2.gz CTILVSYEUQZACM-NEPJUHHUSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1cccc(C)c1 ZINC001204620332 761857146 /nfs/dbraw/zinc/85/71/46/761857146.db2.gz CTILVSYEUQZACM-RYUDHWBXSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@@H](C)O[C@@H](C)CCC=C(C)C ZINC001204620666 761859132 /nfs/dbraw/zinc/85/91/32/761859132.db2.gz DYBZWHUUZSMJBZ-NEPJUHHUSA-N 0 0 184.323 3.936 20 0 AHADRN CC[C@H](C)O[C@H](C)CCC=C(C)C ZINC001204620678 761858836 /nfs/dbraw/zinc/85/88/36/761858836.db2.gz DYBZWHUUZSMJBZ-NWDGAFQWSA-N 0 0 184.323 3.936 20 0 AHADRN CC[C@H](C)O[C@@H](C)CCC=C(C)C ZINC001204620680 761859927 /nfs/dbraw/zinc/85/99/27/761859927.db2.gz DYBZWHUUZSMJBZ-RYUDHWBXSA-N 0 0 184.323 3.936 20 0 AHADRN CC[C@@H](C)O[C@H](C)CCC=C(C)C ZINC001204620682 761859101 /nfs/dbraw/zinc/85/91/01/761859101.db2.gz DYBZWHUUZSMJBZ-VXGBXAGGSA-N 0 0 184.323 3.936 20 0 AHADRN CC[C@H](C)OC1CCC(C)(C)CC1 ZINC001204620816 761860103 /nfs/dbraw/zinc/86/01/03/761860103.db2.gz FPMMDQRLTXMFKE-JTQLQIEISA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)OC1CCC(C)(C)CC1 ZINC001204620817 761859286 /nfs/dbraw/zinc/85/92/86/761859286.db2.gz FPMMDQRLTXMFKE-SNVBAGLBSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)O[C@H](CC)C(C)(C)C ZINC001204621516 761859328 /nfs/dbraw/zinc/85/93/28/761859328.db2.gz HDTPTJLVJRLMTP-NXEZZACHSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)O[C@@H](CC)C(C)(C)C ZINC001204621518 761858996 /nfs/dbraw/zinc/85/89/96/761858996.db2.gz HDTPTJLVJRLMTP-UWVGGRQHSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](O[C@@H](C)CC)C(C)(C)C ZINC001204621519 761859649 /nfs/dbraw/zinc/85/96/49/761859649.db2.gz HDTPTJLVJRLMTP-VHSXEESVSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@@H](C)O[C@@H](CC)C(C)(C)C ZINC001204621520 761859028 /nfs/dbraw/zinc/85/90/28/761859028.db2.gz HDTPTJLVJRLMTP-ZJUUUORDSA-N 0 0 172.312 3.626 20 0 AHADRN CCCCC[C@@H](C)O[C@H](C)CC ZINC001204621674 761859558 /nfs/dbraw/zinc/85/95/58/761859558.db2.gz HYJVWUARKVNZBM-GHMZBOCLSA-N 0 0 172.312 3.770 20 0 AHADRN CCCCC[C@H](C)O[C@H](C)CC ZINC001204621675 761859050 /nfs/dbraw/zinc/85/90/50/761859050.db2.gz HYJVWUARKVNZBM-MNOVXSKESA-N 0 0 172.312 3.770 20 0 AHADRN CCCCC[C@H](C)O[C@@H](C)CC ZINC001204621681 761859414 /nfs/dbraw/zinc/85/94/14/761859414.db2.gz HYJVWUARKVNZBM-QWRGUYRKSA-N 0 0 172.312 3.770 20 0 AHADRN CCCCC[C@@H](C)O[C@@H](C)CC ZINC001204621685 761858914 /nfs/dbraw/zinc/85/89/14/761858914.db2.gz HYJVWUARKVNZBM-WDEREUQCSA-N 0 0 172.312 3.770 20 0 AHADRN CC[C@@H](C)O[C@@H](CC(C)C)C(C)C ZINC001204622060 761858748 /nfs/dbraw/zinc/85/87/48/761858748.db2.gz KRFKCSZJHQOOLM-NEPJUHHUSA-N 0 0 186.339 3.872 20 0 AHADRN CC[C@H](C)O[C@H](CC(C)C)C(C)C ZINC001204622061 761859859 /nfs/dbraw/zinc/85/98/59/761859859.db2.gz KRFKCSZJHQOOLM-NWDGAFQWSA-N 0 0 186.339 3.872 20 0 AHADRN CC[C@H](C)O[C@@H](CC(C)C)C(C)C ZINC001204622062 761860183 /nfs/dbraw/zinc/86/01/83/761860183.db2.gz KRFKCSZJHQOOLM-RYUDHWBXSA-N 0 0 186.339 3.872 20 0 AHADRN CC[C@@H](C)O[C@H](CC(C)C)C(C)C ZINC001204622070 761859311 /nfs/dbraw/zinc/85/93/11/761859311.db2.gz KRFKCSZJHQOOLM-VXGBXAGGSA-N 0 0 186.339 3.872 20 0 AHADRN CC[C@@H](C)O[C@H]1CCC=CCCC1 ZINC001204622371 761859797 /nfs/dbraw/zinc/85/97/97/761859797.db2.gz MMUUAGGCBKQDBI-NEPJUHHUSA-N 0 0 182.307 3.690 20 0 AHADRN CC[C@H](C)O[C@@H]1CCC=CCCC1 ZINC001204622372 761860093 /nfs/dbraw/zinc/86/00/93/761860093.db2.gz MMUUAGGCBKQDBI-NWDGAFQWSA-N 0 0 182.307 3.690 20 0 AHADRN CC[C@H](C)O[C@H]1CCC=CCCC1 ZINC001204622373 761859299 /nfs/dbraw/zinc/85/92/99/761859299.db2.gz MMUUAGGCBKQDBI-RYUDHWBXSA-N 0 0 182.307 3.690 20 0 AHADRN CC[C@@H](C)O[C@@H]1CCC=CCCC1 ZINC001204622374 761859437 /nfs/dbraw/zinc/85/94/37/761859437.db2.gz MMUUAGGCBKQDBI-VXGBXAGGSA-N 0 0 182.307 3.690 20 0 AHADRN CC[C@H](C)O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001204622375 761859987 /nfs/dbraw/zinc/85/99/87/761859987.db2.gz MODQRLSIUOSRLN-FIQHERPVSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001204622376 761859636 /nfs/dbraw/zinc/85/96/36/761859636.db2.gz MODQRLSIUOSRLN-NOOOWODRSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001204622377 761858937 /nfs/dbraw/zinc/85/89/37/761858937.db2.gz MODQRLSIUOSRLN-WHOHXGKFSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001204622378 761860106 /nfs/dbraw/zinc/86/01/06/761860106.db2.gz MODQRLSIUOSRLN-WISYIIOYSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)OC1C[C@@H](C)C[C@H](C)C1 ZINC001204622509 761860073 /nfs/dbraw/zinc/86/00/73/761860073.db2.gz MVGXIEFJKLIEDU-DCAQKATOSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@@H](C)O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001204622510 761860172 /nfs/dbraw/zinc/86/01/72/761860172.db2.gz MVGXIEFJKLIEDU-KXNHARMFSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)OC1C[C@H](C)C[C@@H](C)C1 ZINC001204622511 761859169 /nfs/dbraw/zinc/85/91/69/761859169.db2.gz MVGXIEFJKLIEDU-MXWKQRLJSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001204622512 761858697 /nfs/dbraw/zinc/85/86/97/761858697.db2.gz MVGXIEFJKLIEDU-WHOHXGKFSA-N 0 0 184.323 3.626 20 0 AHADRN CCCC(CCC)O[C@@H](C)CC ZINC001204622875 761860192 /nfs/dbraw/zinc/86/01/92/761860192.db2.gz OYPLWJJPVVUSRW-JTQLQIEISA-N 0 0 172.312 3.770 20 0 AHADRN CCCC(CCC)O[C@H](C)CC ZINC001204622876 761859852 /nfs/dbraw/zinc/85/98/52/761859852.db2.gz OYPLWJJPVVUSRW-SNVBAGLBSA-N 0 0 172.312 3.770 20 0 AHADRN CC[C@@H](C)O[C@H](C)c1cccc(F)c1 ZINC001204622918 761859676 /nfs/dbraw/zinc/85/96/76/761859676.db2.gz PNUWEWCQINEFIA-NXEZZACHSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1cccc(F)c1 ZINC001204622920 761859707 /nfs/dbraw/zinc/85/97/07/761859707.db2.gz PNUWEWCQINEFIA-UWVGGRQHSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@H](C)O[C@H](C)c1cccc(F)c1 ZINC001204622922 761859457 /nfs/dbraw/zinc/85/94/57/761859457.db2.gz PNUWEWCQINEFIA-VHSXEESVSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1cccc(F)c1 ZINC001204622929 761860027 /nfs/dbraw/zinc/86/00/27/761860027.db2.gz PNUWEWCQINEFIA-ZJUUUORDSA-N 0 0 196.265 3.702 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1ccccc1C ZINC001204622975 761859901 /nfs/dbraw/zinc/85/99/01/761859901.db2.gz QMPXRRLZWGBMAI-NEPJUHHUSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@H](C)O[C@H](C)c1ccccc1C ZINC001204622977 761859065 /nfs/dbraw/zinc/85/90/65/761859065.db2.gz QMPXRRLZWGBMAI-NWDGAFQWSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1ccccc1C ZINC001204622983 761859382 /nfs/dbraw/zinc/85/93/82/761859382.db2.gz QMPXRRLZWGBMAI-RYUDHWBXSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@@H](C)O[C@H](C)c1ccccc1C ZINC001204622984 761859318 /nfs/dbraw/zinc/85/93/18/761859318.db2.gz QMPXRRLZWGBMAI-VXGBXAGGSA-N 0 0 192.302 3.871 20 0 AHADRN CCC[C@@H](O[C@H](C)CC)C(C)C ZINC001204623204 761859531 /nfs/dbraw/zinc/85/95/31/761859531.db2.gz SEVYSSPTDFOZIE-GHMZBOCLSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](O[C@H](C)CC)C(C)C ZINC001204623205 761859939 /nfs/dbraw/zinc/85/99/39/761859939.db2.gz SEVYSSPTDFOZIE-MNOVXSKESA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@H](O[C@@H](C)CC)C(C)C ZINC001204623206 761859585 /nfs/dbraw/zinc/85/95/85/761859585.db2.gz SEVYSSPTDFOZIE-QWRGUYRKSA-N 0 0 172.312 3.626 20 0 AHADRN CCC[C@@H](O[C@@H](C)CC)C(C)C ZINC001204623207 761859130 /nfs/dbraw/zinc/85/91/30/761859130.db2.gz SEVYSSPTDFOZIE-WDEREUQCSA-N 0 0 172.312 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CCCC[C@H]1CC ZINC001204623384 761859243 /nfs/dbraw/zinc/85/92/43/761859243.db2.gz UVZJFFDCKSXLDD-QJPTWQEYSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](C)O[C@@H]1CCCC[C@@H]1CC ZINC001204623385 761860057 /nfs/dbraw/zinc/86/00/57/761860057.db2.gz UVZJFFDCKSXLDD-SDDRHHMPSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](C)O[C@H]1CCCC[C@@H]1CC ZINC001204623386 761859750 /nfs/dbraw/zinc/85/97/50/761859750.db2.gz UVZJFFDCKSXLDD-SRVKXCTJSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](C)O[C@H]1CCCC[C@H]1CC ZINC001204623387 761858831 /nfs/dbraw/zinc/85/88/31/761858831.db2.gz UVZJFFDCKSXLDD-TUAOUCFPSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)O[C@H](CC)c1ccccc1 ZINC001204623403 761859917 /nfs/dbraw/zinc/85/99/17/761859917.db2.gz VAUHGAJYMYBCGJ-DGCLKSJQSA-N 0 0 192.302 3.953 20 0 AHADRN CC[C@@H](O[C@@H](C)CC)c1ccccc1 ZINC001204623404 761860175 /nfs/dbraw/zinc/86/01/75/761860175.db2.gz VAUHGAJYMYBCGJ-WCQYABFASA-N 0 0 192.302 3.953 20 0 AHADRN CC[C@H](C)O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001204623830 761861842 /nfs/dbraw/zinc/86/18/42/761861842.db2.gz ZDJNNNSVUQUYJB-FIQHERPVSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001204623831 761861048 /nfs/dbraw/zinc/86/10/48/761861048.db2.gz ZDJNNNSVUQUYJB-NOOOWODRSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001204623833 761861476 /nfs/dbraw/zinc/86/14/76/761861476.db2.gz ZDJNNNSVUQUYJB-WHOHXGKFSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001204623835 761860687 /nfs/dbraw/zinc/86/06/87/761860687.db2.gz ZDJNNNSVUQUYJB-WISYIIOYSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001204629062 761860818 /nfs/dbraw/zinc/86/08/18/761860818.db2.gz FULUDLICKMGKLB-FIQHERPVSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001204629063 761861201 /nfs/dbraw/zinc/86/12/01/761861201.db2.gz FULUDLICKMGKLB-NNYUYHANSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001204629064 761861569 /nfs/dbraw/zinc/86/15/69/761861569.db2.gz FULUDLICKMGKLB-NOOOWODRSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001204629065 761860535 /nfs/dbraw/zinc/86/05/35/761860535.db2.gz FULUDLICKMGKLB-WRWGMCAJSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@@H](C)O[C@@H]1CC[C@@H](CC)CC1 ZINC001204629526 761860951 /nfs/dbraw/zinc/86/09/51/761860951.db2.gz MFNKHEWDKBFOFU-IJLUTSLNSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](C)O[C@@H]1CC[C@@H](CC)CC1 ZINC001204629528 761860807 /nfs/dbraw/zinc/86/08/07/761860807.db2.gz MFNKHEWDKBFOFU-SRVKXCTJSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](C)OC1CCC(CC)CC1 ZINC001204629529 761861208 /nfs/dbraw/zinc/86/12/08/761861208.db2.gz MFNKHEWDKBFOFU-UNXYVOJBSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)OC1CCC(CC)CC1 ZINC001204629530 761861342 /nfs/dbraw/zinc/86/13/42/761861342.db2.gz MFNKHEWDKBFOFU-VOMCLLRMSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@@H](C)O[C@@H](C)c1ccc(C)cc1 ZINC001204629762 761861310 /nfs/dbraw/zinc/86/13/10/761861310.db2.gz MTBQDQUFOSJDFE-NEPJUHHUSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@H](C)O[C@H](C)c1ccc(C)cc1 ZINC001204629763 761860881 /nfs/dbraw/zinc/86/08/81/761860881.db2.gz MTBQDQUFOSJDFE-NWDGAFQWSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@H](C)O[C@@H](C)c1ccc(C)cc1 ZINC001204629764 761860447 /nfs/dbraw/zinc/86/04/47/761860447.db2.gz MTBQDQUFOSJDFE-RYUDHWBXSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@@H](C)O[C@H](C)c1ccc(C)cc1 ZINC001204629765 761861504 /nfs/dbraw/zinc/86/15/04/761861504.db2.gz MTBQDQUFOSJDFE-VXGBXAGGSA-N 0 0 192.302 3.871 20 0 AHADRN CC[C@@H](C)O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001204630659 761861004 /nfs/dbraw/zinc/86/10/04/761861004.db2.gz UGGGDYSFJODHAZ-KXNHARMFSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)OC1[C@H](C)CCC[C@H]1C ZINC001204630661 761861023 /nfs/dbraw/zinc/86/10/23/761861023.db2.gz UGGGDYSFJODHAZ-MXWKQRLJSA-N 0 0 184.323 3.626 20 0 AHADRN CC[C@H](C)O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001204630664 761861339 /nfs/dbraw/zinc/86/13/39/761861339.db2.gz UGGGDYSFJODHAZ-WHOHXGKFSA-N 0 0 184.323 3.626 20 0 AHADRN CCCC/C=C/[C@@H](C)O[C@H](C)CC ZINC001204631264 761861133 /nfs/dbraw/zinc/86/11/33/761861133.db2.gz XYTZKAKCNIYKAA-CZHKVUGUSA-N 0 0 184.323 3.936 20 0 AHADRN CCCC/C=C/[C@H](C)O[C@@H](C)CC ZINC001204631265 761861595 /nfs/dbraw/zinc/86/15/95/761861595.db2.gz XYTZKAKCNIYKAA-GSGCRYEPSA-N 0 0 184.323 3.936 20 0 AHADRN CCCC/C=C/[C@@H](C)O[C@@H](C)CC ZINC001204631266 761861253 /nfs/dbraw/zinc/86/12/53/761861253.db2.gz XYTZKAKCNIYKAA-NYXKHXTOSA-N 0 0 184.323 3.936 20 0 AHADRN CCCC/C=C/[C@H](C)O[C@H](C)CC ZINC001204631267 761860835 /nfs/dbraw/zinc/86/08/35/761860835.db2.gz XYTZKAKCNIYKAA-ZGFRAZBVSA-N 0 0 184.323 3.936 20 0 AHADRN CC/C=C(\C)[C@@H](CC)O[C@H](C)CC ZINC001204631368 761862964 /nfs/dbraw/zinc/86/29/64/761862964.db2.gz ZWEFVFNAWVYEPR-CZHKVUGUSA-N 0 0 184.323 3.936 20 0 AHADRN CC/C=C(\C)[C@H](CC)O[C@@H](C)CC ZINC001204631369 761863354 /nfs/dbraw/zinc/86/33/54/761863354.db2.gz ZWEFVFNAWVYEPR-GSGCRYEPSA-N 0 0 184.323 3.936 20 0 AHADRN CC/C=C(\C)[C@@H](CC)O[C@@H](C)CC ZINC001204631370 761863485 /nfs/dbraw/zinc/86/34/85/761863485.db2.gz ZWEFVFNAWVYEPR-NYXKHXTOSA-N 0 0 184.323 3.936 20 0 AHADRN CC/C=C(\C)[C@H](CC)O[C@H](C)CC ZINC001204631371 761862836 /nfs/dbraw/zinc/86/28/36/761862836.db2.gz ZWEFVFNAWVYEPR-ZGFRAZBVSA-N 0 0 184.323 3.936 20 0 AHADRN CC[C@@H](C)[C@H](C)OCc1ccccc1 ZINC001204638813 761862447 /nfs/dbraw/zinc/86/24/47/761862447.db2.gz WVDTZUYMKBBBDT-NEPJUHHUSA-N 0 0 192.302 3.638 20 0 AHADRN CC[C@H](C)[C@@H](C)OCc1ccccc1 ZINC001204638814 761862347 /nfs/dbraw/zinc/86/23/47/761862347.db2.gz WVDTZUYMKBBBDT-NWDGAFQWSA-N 0 0 192.302 3.638 20 0 AHADRN CC[C@H](C)[C@H](C)OCc1ccccc1 ZINC001204638815 761863170 /nfs/dbraw/zinc/86/31/70/761863170.db2.gz WVDTZUYMKBBBDT-RYUDHWBXSA-N 0 0 192.302 3.638 20 0 AHADRN CC[C@@H](C)[C@@H](C)OCc1ccccc1 ZINC001204638816 761863525 /nfs/dbraw/zinc/86/35/25/761863525.db2.gz WVDTZUYMKBBBDT-VXGBXAGGSA-N 0 0 192.302 3.638 20 0 AHADRN CCC(CC)OCc1ccccc1C ZINC001204653750 761863548 /nfs/dbraw/zinc/86/35/48/761863548.db2.gz NNXSQTUGLHHVME-UHFFFAOYSA-N 0 0 192.302 3.700 20 0 AHADRN CCC[C@@H](C)OCc1ccccc1C ZINC001204654161 761862904 /nfs/dbraw/zinc/86/29/04/761862904.db2.gz RILZVUGOVODBMB-GFCCVEGCSA-N 0 0 192.302 3.700 20 0 AHADRN CCC[C@H](C)OCc1ccccc1C ZINC001204654162 761862477 /nfs/dbraw/zinc/86/24/77/761862477.db2.gz RILZVUGOVODBMB-LBPRGKRZSA-N 0 0 192.302 3.700 20 0 AHADRN Cc1ccccc1CO[C@H](C)C(C)C ZINC001204660603 761863320 /nfs/dbraw/zinc/86/33/20/761863320.db2.gz JOGILXJNNOIGTO-GFCCVEGCSA-N 0 0 192.302 3.556 20 0 AHADRN Cc1ccccc1CO[C@@H](C)C(C)C ZINC001204660618 761862396 /nfs/dbraw/zinc/86/23/96/761862396.db2.gz JOGILXJNNOIGTO-LBPRGKRZSA-N 0 0 192.302 3.556 20 0 AHADRN CCC[C@@H](C)OCc1cccc(C)c1 ZINC001204666893 761862416 /nfs/dbraw/zinc/86/24/16/761862416.db2.gz CIGNUSONHNDDGP-GFCCVEGCSA-N 0 0 192.302 3.700 20 0 AHADRN CCC[C@H](C)OCc1cccc(C)c1 ZINC001204666894 761862363 /nfs/dbraw/zinc/86/23/63/761862363.db2.gz CIGNUSONHNDDGP-LBPRGKRZSA-N 0 0 192.302 3.700 20 0 AHADRN Cc1cccc(CO[C@H](C)C(C)C)c1 ZINC001204667416 761862917 /nfs/dbraw/zinc/86/29/17/761862917.db2.gz IEIMPYYLDFJZKU-GFCCVEGCSA-N 0 0 192.302 3.556 20 0 AHADRN Cc1cccc(CO[C@@H](C)C(C)C)c1 ZINC001204667419 761863286 /nfs/dbraw/zinc/86/32/86/761863286.db2.gz IEIMPYYLDFJZKU-LBPRGKRZSA-N 0 0 192.302 3.556 20 0 AHADRN CCC(CC)OCc1cccc(C)c1 ZINC001204667562 761862250 /nfs/dbraw/zinc/86/22/50/761862250.db2.gz JFVKZYSCEHTMEY-UHFFFAOYSA-N 0 0 192.302 3.700 20 0 AHADRN CCC[C@@H](C)OCc1ccc(C)cc1 ZINC001204679245 761863473 /nfs/dbraw/zinc/86/34/73/761863473.db2.gz FIXBWSNMTCVMDA-GFCCVEGCSA-N 0 0 192.302 3.700 20 0 AHADRN CCC[C@H](C)OCc1ccc(C)cc1 ZINC001204679247 761862470 /nfs/dbraw/zinc/86/24/70/761862470.db2.gz FIXBWSNMTCVMDA-LBPRGKRZSA-N 0 0 192.302 3.700 20 0 AHADRN CCC(CC)OCc1ccc(C)cc1 ZINC001204681837 761863263 /nfs/dbraw/zinc/86/32/63/761863263.db2.gz YWJTUADYBKKUDP-UHFFFAOYSA-N 0 0 192.302 3.700 20 0 AHADRN C[C@@H]1CCCC[C@H]1OCC(C)(C)C ZINC001204877319 761868342 /nfs/dbraw/zinc/86/83/42/761868342.db2.gz GJKFDAQUEJSCPZ-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H]1CCCC[C@@H]1OCC(C)(C)C ZINC001204877320 761867721 /nfs/dbraw/zinc/86/77/21/761867721.db2.gz GJKFDAQUEJSCPZ-MNOVXSKESA-N 0 0 184.323 3.628 20 0 AHADRN C[C@H]1CCCC[C@@H]1OCC(C)(C)C ZINC001204877321 761868305 /nfs/dbraw/zinc/86/83/05/761868305.db2.gz GJKFDAQUEJSCPZ-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@H]1CCCC[C@H]1OCC(C)(C)C ZINC001204877322 761868695 /nfs/dbraw/zinc/86/86/95/761868695.db2.gz GJKFDAQUEJSCPZ-WDEREUQCSA-N 0 0 184.323 3.628 20 0 AHADRN CCCC[C@H](C)OCC(C)(C)C ZINC001204877913 761869258 /nfs/dbraw/zinc/86/92/58/761869258.db2.gz MXQQXKQQMXXRNC-JTQLQIEISA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@@H](C)OCC(C)(C)C ZINC001204877914 761869323 /nfs/dbraw/zinc/86/93/23/761869323.db2.gz MXQQXKQQMXXRNC-SNVBAGLBSA-N 0 0 172.312 3.628 20 0 AHADRN C[C@@H](OCC(C)(C)C)c1cccs1 ZINC001204877942 761869457 /nfs/dbraw/zinc/86/94/57/761869457.db2.gz NMTUUCVFYBFWQJ-SECBINFHSA-N 0 0 198.331 3.872 20 0 AHADRN C[C@H](OCC(C)(C)C)c1cccs1 ZINC001204877945 761869064 /nfs/dbraw/zinc/86/90/64/761869064.db2.gz NMTUUCVFYBFWQJ-VIFPVBQESA-N 0 0 198.331 3.872 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC(C)(C)C)[C@H]1C ZINC001204885728 761870273 /nfs/dbraw/zinc/87/02/73/761870273.db2.gz AEJSVVQYTYTEMA-GRYCIOLGSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC(C)(C)C)[C@@H]1C ZINC001204885729 761869709 /nfs/dbraw/zinc/86/97/09/761869709.db2.gz AEJSVVQYTYTEMA-IJLUTSLNSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@H](OCC(C)(C)C)[C@@H]1C ZINC001204885730 761869790 /nfs/dbraw/zinc/86/97/90/761869790.db2.gz AEJSVVQYTYTEMA-UTUOFQBUSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@H](OCC(C)(C)C)[C@H]1C ZINC001204885731 761870185 /nfs/dbraw/zinc/87/01/85/761870185.db2.gz AEJSVVQYTYTEMA-WOPDTQHZSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@H](C)[C@H]1OCC(C)(C)C ZINC001204886092 761870035 /nfs/dbraw/zinc/87/00/35/761870035.db2.gz GTQNWMMGGLBTEL-GDNZZTSVSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@@H](C)C1OCC(C)(C)C ZINC001204886096 761870315 /nfs/dbraw/zinc/87/03/15/761870315.db2.gz GTQNWMMGGLBTEL-GHMZBOCLSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@H]1CCC[C@H](C)C1OCC(C)(C)C ZINC001204886099 761869177 /nfs/dbraw/zinc/86/91/77/761869177.db2.gz GTQNWMMGGLBTEL-QWRGUYRKSA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@@H](OCC(C)(C)C)C(C)C ZINC001204886441 761870027 /nfs/dbraw/zinc/87/00/27/761870027.db2.gz ILRYZBQSHMTDHI-LLVKDONJSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OCC(C)(C)C)C(C)C ZINC001204886442 761870294 /nfs/dbraw/zinc/87/02/94/761870294.db2.gz ILRYZBQSHMTDHI-NSHDSACASA-N 0 0 186.339 3.874 20 0 AHADRN C[C@H]1CC[C@H](OCC(C)(C)C)CC1 ZINC001204886718 761869165 /nfs/dbraw/zinc/86/91/65/761869165.db2.gz KVGBKFQDSJIFEM-XYPYZODXSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)(C)CO[C@@H]1CC2CCC1CC2 ZINC001204886754 761869500 /nfs/dbraw/zinc/86/95/00/761869500.db2.gz LRFSUXOKSCHAPB-HTAVTVPLSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)(C)CO[C@H]1CC2CCC1CC2 ZINC001204886755 761870415 /nfs/dbraw/zinc/87/04/15/761870415.db2.gz LRFSUXOKSCHAPB-MCIGGMRASA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@H](OCC(C)(C)C)C1 ZINC001204887104 761869519 /nfs/dbraw/zinc/86/95/19/761869519.db2.gz OKNRLKPHKTZSSG-GRYCIOLGSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@H](OCC(C)(C)C)C1 ZINC001204887105 761870474 /nfs/dbraw/zinc/87/04/74/761870474.db2.gz OKNRLKPHKTZSSG-IJLUTSLNSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@@H](OCC(C)(C)C)C1 ZINC001204887106 761870138 /nfs/dbraw/zinc/87/01/38/761870138.db2.gz OKNRLKPHKTZSSG-UTUOFQBUSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@@H](OCC(C)(C)C)C1 ZINC001204887108 761870189 /nfs/dbraw/zinc/87/01/89/761870189.db2.gz OKNRLKPHKTZSSG-WOPDTQHZSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)(C)CO[C@@H]1CCC=CCCC1 ZINC001204887196 761870467 /nfs/dbraw/zinc/87/04/67/761870467.db2.gz QSLCSDWKVFLHMS-GFCCVEGCSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)(C)CO[C@H]1CCC=CCCC1 ZINC001204887197 761869525 /nfs/dbraw/zinc/86/95/25/761869525.db2.gz QSLCSDWKVFLHMS-LBPRGKRZSA-N 0 0 196.334 3.938 20 0 AHADRN C[C@H]1C[C@H](OCC(C)(C)C)C[C@@H](C)C1 ZINC001204887346 761869074 /nfs/dbraw/zinc/86/90/74/761869074.db2.gz SDRHVSRYZYHKID-GDNZZTSVSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@H]1CC(OCC(C)(C)C)C[C@H](C)C1 ZINC001204887347 761870092 /nfs/dbraw/zinc/87/00/92/761870092.db2.gz SDRHVSRYZYHKID-GHMZBOCLSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC(OCC(C)(C)C)C[C@@H](C)C1 ZINC001204887348 761869814 /nfs/dbraw/zinc/86/98/14/761869814.db2.gz SDRHVSRYZYHKID-QWRGUYRKSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)C(OCC(C)(C)C)C(C)C ZINC001204887463 761870337 /nfs/dbraw/zinc/87/03/37/761870337.db2.gz WLGLKVNZCBUFLQ-UHFFFAOYSA-N 0 0 186.339 3.730 20 0 AHADRN CC(C)CC[C@@H](C)OCC(C)(C)C ZINC001204887464 761870350 /nfs/dbraw/zinc/87/03/50/761870350.db2.gz WPFXLWXEVACHAI-LLVKDONJSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CC[C@H](C)OCC(C)(C)C ZINC001204887465 761869552 /nfs/dbraw/zinc/86/95/52/761869552.db2.gz WPFXLWXEVACHAI-NSHDSACASA-N 0 0 186.339 3.874 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC(C)(C)C)C1 ZINC001204887482 761869214 /nfs/dbraw/zinc/86/92/14/761869214.db2.gz XAYZABBNWBARDL-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H]1CCC[C@H](OCC(C)(C)C)C1 ZINC001204887483 761870061 /nfs/dbraw/zinc/87/00/61/761870061.db2.gz XAYZABBNWBARDL-MNOVXSKESA-N 0 0 184.323 3.628 20 0 AHADRN C[C@H]1CCC[C@H](OCC(C)(C)C)C1 ZINC001204887484 761869991 /nfs/dbraw/zinc/86/99/91/761869991.db2.gz XAYZABBNWBARDL-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@H]1CCC[C@@H](OCC(C)(C)C)C1 ZINC001204887485 761869338 /nfs/dbraw/zinc/86/93/38/761869338.db2.gz XAYZABBNWBARDL-WDEREUQCSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H]1CC[C@@H](OCC(C)(C)C)C[C@@H]1C ZINC001204887499 761870424 /nfs/dbraw/zinc/87/04/24/761870424.db2.gz XNQJCJZHNGZMKB-GRYCIOLGSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@@H](OCC(C)(C)C)C[C@H]1C ZINC001204887500 761870233 /nfs/dbraw/zinc/87/02/33/761870233.db2.gz XNQJCJZHNGZMKB-IJLUTSLNSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@H](OCC(C)(C)C)C[C@H]1C ZINC001204887501 761869821 /nfs/dbraw/zinc/86/98/21/761869821.db2.gz XNQJCJZHNGZMKB-UTUOFQBUSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CC[C@H](OCC(C)(C)C)C[C@@H]1C ZINC001204887502 761869443 /nfs/dbraw/zinc/86/94/43/761869443.db2.gz XNQJCJZHNGZMKB-WOPDTQHZSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@H](OCC(C)(C)C)C1CCCC1 ZINC001204887587 761870339 /nfs/dbraw/zinc/87/03/39/761870339.db2.gz ZRQDRMAMQIVFCO-JTQLQIEISA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H](OCC(C)(C)C)C1CCCC1 ZINC001204887588 761869345 /nfs/dbraw/zinc/86/93/45/761869345.db2.gz ZRQDRMAMQIVFCO-SNVBAGLBSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)(C)COC1CCCCCC1 ZINC001204887599 761870227 /nfs/dbraw/zinc/87/02/27/761870227.db2.gz ZXZWUSPHQKFLOD-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN Cc1ccccc1[C@@H](C)OCC(C)C ZINC001204922518 761871852 /nfs/dbraw/zinc/87/18/52/761871852.db2.gz AIOUSQZCNCEBLT-GFCCVEGCSA-N 0 0 192.302 3.729 20 0 AHADRN Cc1ccccc1[C@H](C)OCC(C)C ZINC001204922519 761871155 /nfs/dbraw/zinc/87/11/55/761871155.db2.gz AIOUSQZCNCEBLT-LBPRGKRZSA-N 0 0 192.302 3.729 20 0 AHADRN CC[C@@H]1CCCC[C@@H]1OCC(C)C ZINC001204922909 761871580 /nfs/dbraw/zinc/87/15/80/761871580.db2.gz GGKRXKLWPYQLOD-NEPJUHHUSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H]1CCCC[C@H]1OCC(C)C ZINC001204922911 761870672 /nfs/dbraw/zinc/87/06/72/761870672.db2.gz GGKRXKLWPYQLOD-NWDGAFQWSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H]1CCCC[C@@H]1OCC(C)C ZINC001204922912 761870968 /nfs/dbraw/zinc/87/09/68/761870968.db2.gz GGKRXKLWPYQLOD-RYUDHWBXSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H]1CCCC[C@H]1OCC(C)C ZINC001204922913 761871956 /nfs/dbraw/zinc/87/19/56/761871956.db2.gz GGKRXKLWPYQLOD-VXGBXAGGSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001204923022 761871995 /nfs/dbraw/zinc/87/19/95/761871995.db2.gz JFBNAEVMFWMUGO-NEPJUHHUSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001204923023 761870973 /nfs/dbraw/zinc/87/09/73/761870973.db2.gz JFBNAEVMFWMUGO-NWDGAFQWSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001204923024 761871265 /nfs/dbraw/zinc/87/12/65/761871265.db2.gz JFBNAEVMFWMUGO-RYUDHWBXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001204923025 761871775 /nfs/dbraw/zinc/87/17/75/761871775.db2.gz JFBNAEVMFWMUGO-VXGBXAGGSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CO[C@@H]1CCC=CCCC1 ZINC001204923026 761871404 /nfs/dbraw/zinc/87/14/04/761871404.db2.gz JFVLWPBVKBVWAG-GFCCVEGCSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)CO[C@H]1CCC=CCCC1 ZINC001204923027 761870941 /nfs/dbraw/zinc/87/09/41/761870941.db2.gz JFVLWPBVKBVWAG-LBPRGKRZSA-N 0 0 182.307 3.548 20 0 AHADRN CCC(CC)[C@@H](CC)OCC(C)C ZINC001204923030 761871094 /nfs/dbraw/zinc/87/10/94/761871094.db2.gz JKRKMVHKIMVGOB-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CCC(CC)[C@H](CC)OCC(C)C ZINC001204923031 761871894 /nfs/dbraw/zinc/87/18/94/761871894.db2.gz JKRKMVHKIMVGOB-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](OCC(C)C)C(C)(C)C ZINC001204923047 761871099 /nfs/dbraw/zinc/87/10/99/761871099.db2.gz KAJIADKMPJUYIZ-LLVKDONJSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OCC(C)C)C(C)(C)C ZINC001204923049 761870868 /nfs/dbraw/zinc/87/08/68/761870868.db2.gz KAJIADKMPJUYIZ-NSHDSACASA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OCC(C)C)[C@H](C)CC ZINC001204923495 761871875 /nfs/dbraw/zinc/87/18/75/761871875.db2.gz NXOUHBWLIYEUHO-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](OCC(C)C)[C@@H](C)CC ZINC001204923497 761870861 /nfs/dbraw/zinc/87/08/61/761870861.db2.gz NXOUHBWLIYEUHO-NWDGAFQWSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OCC(C)C)[C@@H](C)CC ZINC001204923498 761871899 /nfs/dbraw/zinc/87/18/99/761871899.db2.gz NXOUHBWLIYEUHO-RYUDHWBXSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](OCC(C)C)[C@H](C)CC ZINC001204923500 761871188 /nfs/dbraw/zinc/87/11/88/761871188.db2.gz NXOUHBWLIYEUHO-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN CCCC(CCC)OCC(C)C ZINC001204923511 761871414 /nfs/dbraw/zinc/87/14/14/761871414.db2.gz OOEONQKYRKMASW-UHFFFAOYSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCC[C@@H](C)OCC(C)C ZINC001204923608 761871884 /nfs/dbraw/zinc/87/18/84/761871884.db2.gz PPKUVAUVKJGTPG-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCC[C@H](C)OCC(C)C ZINC001204923609 761871216 /nfs/dbraw/zinc/87/12/16/761871216.db2.gz PPKUVAUVKJGTPG-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CC(C)COC1CCC(C(C)C)CC1 ZINC001204923624 761872005 /nfs/dbraw/zinc/87/20/05/761872005.db2.gz PWUOVVISBHRRPA-UHFFFAOYSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CO[C@@H](C)c1cccc(F)c1 ZINC001204923864 761871829 /nfs/dbraw/zinc/87/18/29/761871829.db2.gz RSHDDJHCAMPDJW-JTQLQIEISA-N 0 0 196.265 3.559 20 0 AHADRN CC(C)CO[C@H](C)c1cccc(F)c1 ZINC001204923867 761871433 /nfs/dbraw/zinc/87/14/33/761871433.db2.gz RSHDDJHCAMPDJW-SNVBAGLBSA-N 0 0 196.265 3.559 20 0 AHADRN CC[C@@H](C)C[C@H](CC)OCC(C)C ZINC001204924155 761871469 /nfs/dbraw/zinc/87/14/69/761871469.db2.gz VPJKINZSVWCXME-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C[C@@H](C)CC)OCC(C)C ZINC001204924158 761871591 /nfs/dbraw/zinc/87/15/91/761871591.db2.gz VPJKINZSVWCXME-NWDGAFQWSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)C[C@H](CC)OCC(C)C ZINC001204924171 761871018 /nfs/dbraw/zinc/87/10/18/761871018.db2.gz VPJKINZSVWCXME-RYUDHWBXSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](C)C[C@@H](CC)OCC(C)C ZINC001204924175 761870872 /nfs/dbraw/zinc/87/08/72/761870872.db2.gz VPJKINZSVWCXME-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](OCC(C)C)c1ccccc1 ZINC001204924223 761873714 /nfs/dbraw/zinc/87/37/14/761873714.db2.gz WNSKHCMVTLXFCO-CYBMUJFWSA-N 0 0 192.302 3.810 20 0 AHADRN CC(C)CO[C@H](CC(C)C)C(C)C ZINC001204924246 761872781 /nfs/dbraw/zinc/87/27/81/761872781.db2.gz WYNIBTVCBNKNGH-GFCCVEGCSA-N 0 0 186.339 3.730 20 0 AHADRN CC(C)CO[C@@H](CC(C)C)C(C)C ZINC001204924249 761873312 /nfs/dbraw/zinc/87/33/12/761873312.db2.gz WYNIBTVCBNKNGH-LBPRGKRZSA-N 0 0 186.339 3.730 20 0 AHADRN CC(C)COC1CCC(C)(C)CC1 ZINC001204924314 761872305 /nfs/dbraw/zinc/87/23/05/761872305.db2.gz YFJAAPVRJWONHD-UHFFFAOYSA-N 0 0 184.323 3.628 20 0 AHADRN CC/C=C(\C)[C@@H](CC)OCC(C)C ZINC001204930051 761872937 /nfs/dbraw/zinc/87/29/37/761872937.db2.gz AGGVCEXYBRAFOV-JATZPVMKSA-N 0 0 184.323 3.794 20 0 AHADRN CC/C=C(\C)[C@H](CC)OCC(C)C ZINC001204930052 761872494 /nfs/dbraw/zinc/87/24/94/761872494.db2.gz AGGVCEXYBRAFOV-OBIHZWKSSA-N 0 0 184.323 3.794 20 0 AHADRN CC(C)=CCC[C@@H](C)OCC(C)C ZINC001204930380 761872416 /nfs/dbraw/zinc/87/24/16/761872416.db2.gz DQQMCDFJYKQPCK-GFCCVEGCSA-N 0 0 184.323 3.794 20 0 AHADRN CC(C)=CCC[C@H](C)OCC(C)C ZINC001204930382 761873665 /nfs/dbraw/zinc/87/36/65/761873665.db2.gz DQQMCDFJYKQPCK-LBPRGKRZSA-N 0 0 184.323 3.794 20 0 AHADRN CCCC/C=C/[C@H](C)OCC(C)C ZINC001204930471 761872635 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/nfs/dbraw/zinc/88/45/36/761884536.db2.gz LTAOFBPDJKCTRV-NEPJUHHUSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@H](C)C1 ZINC001205019139 761885462 /nfs/dbraw/zinc/88/54/62/761885462.db2.gz LTAOFBPDJKCTRV-NWDGAFQWSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@H]1CCC[C@H](C)C1 ZINC001205019140 761885782 /nfs/dbraw/zinc/88/57/82/761885782.db2.gz LTAOFBPDJKCTRV-RYUDHWBXSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@@H](C)C1 ZINC001205019141 761885153 /nfs/dbraw/zinc/88/51/53/761885153.db2.gz LTAOFBPDJKCTRV-VXGBXAGGSA-N 0 0 182.307 3.548 20 0 AHADRN CC[C@@H]1CCCC[C@H]1OCC=C(C)C ZINC001205019161 761885637 /nfs/dbraw/zinc/88/56/37/761885637.db2.gz MPPTWKKQYBKMGY-CHWSQXEVSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@@H]1CCCC[C@@H]1OCC=C(C)C ZINC001205019162 761885314 /nfs/dbraw/zinc/88/53/14/761885314.db2.gz MPPTWKKQYBKMGY-OLZOCXBDSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@H]1CCCC[C@H]1OCC=C(C)C ZINC001205019163 761884768 /nfs/dbraw/zinc/88/47/68/761884768.db2.gz MPPTWKKQYBKMGY-QWHCGFSZSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@H]1CCCC[C@@H]1OCC=C(C)C ZINC001205019164 761884477 /nfs/dbraw/zinc/88/44/77/761884477.db2.gz MPPTWKKQYBKMGY-STQMWFEESA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)=CCO[C@H]1CC[C@H](C)CC1 ZINC001205019205 761885390 /nfs/dbraw/zinc/88/53/90/761885390.db2.gz OIKPUNVYEINEHS-HAQNSBGRSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCOC1CCC(C)CC1 ZINC001205019206 761885769 /nfs/dbraw/zinc/88/57/69/761885769.db2.gz OIKPUNVYEINEHS-UHFFFAOYSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCOC1CCC(C)(C)CC1 ZINC001205019308 761885386 /nfs/dbraw/zinc/88/53/86/761885386.db2.gz RTVJQJLVYTYGGH-UHFFFAOYSA-N 0 0 196.334 3.938 20 0 AHADRN CCCCC[C@@H](C)OCC=C(C)C ZINC001205019355 761884791 /nfs/dbraw/zinc/88/47/91/761884791.db2.gz SZLHNSJGOYRKSI-GFCCVEGCSA-N 0 0 184.323 3.938 20 0 AHADRN CCCCC[C@H](C)OCC=C(C)C ZINC001205019356 761885262 /nfs/dbraw/zinc/88/52/62/761885262.db2.gz SZLHNSJGOYRKSI-LBPRGKRZSA-N 0 0 184.323 3.938 20 0 AHADRN CC(C)=CCO[C@@H](C)c1cccs1 ZINC001205019389 761884732 /nfs/dbraw/zinc/88/47/32/761884732.db2.gz UYZKTDYIQHBRKU-JTQLQIEISA-N 0 0 196.315 3.792 20 0 AHADRN CC(C)=CCO[C@H](C)c1cccs1 ZINC001205019390 761884655 /nfs/dbraw/zinc/88/46/55/761884655.db2.gz UYZKTDYIQHBRKU-SNVBAGLBSA-N 0 0 196.315 3.792 20 0 AHADRN CCCC[C@@H](CC)OCC=C(C)C ZINC001205019397 761884626 /nfs/dbraw/zinc/88/46/26/761884626.db2.gz VGHWGIFTLGDPQA-GFCCVEGCSA-N 0 0 184.323 3.938 20 0 AHADRN CCCC[C@H](CC)OCC=C(C)C ZINC001205019398 761885755 /nfs/dbraw/zinc/88/57/55/761885755.db2.gz VGHWGIFTLGDPQA-LBPRGKRZSA-N 0 0 184.323 3.938 20 0 AHADRN CC[C@@H](OCC=C(C)C)C(C)(C)C ZINC001205019399 761885134 /nfs/dbraw/zinc/88/51/34/761885134.db2.gz VIWOUQKPOWHVCZ-LLVKDONJSA-N 0 0 184.323 3.794 20 0 AHADRN CC[C@H](OCC=C(C)C)C(C)(C)C ZINC001205019400 761885786 /nfs/dbraw/zinc/88/57/86/761885786.db2.gz VIWOUQKPOWHVCZ-NSHDSACASA-N 0 0 184.323 3.794 20 0 AHADRN CCC[C@@H](CC)OCC=C(C)C ZINC001205019410 761885355 /nfs/dbraw/zinc/88/53/55/761885355.db2.gz VOEVIHSUNYQXAF-LLVKDONJSA-N 0 0 170.296 3.548 20 0 AHADRN CCC[C@H](CC)OCC=C(C)C ZINC001205019411 761884814 /nfs/dbraw/zinc/88/48/14/761884814.db2.gz VOEVIHSUNYQXAF-NSHDSACASA-N 0 0 170.296 3.548 20 0 AHADRN CC(C)=CCO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001205019427 761884956 /nfs/dbraw/zinc/88/49/56/761884956.db2.gz WCTGYJFOHBUKRN-ITGUQSILSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCOC1C[C@@H](C)C[C@H](C)C1 ZINC001205019428 761885312 /nfs/dbraw/zinc/88/53/12/761885312.db2.gz WCTGYJFOHBUKRN-RYUDHWBXSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCOC1C[C@H](C)C[C@@H](C)C1 ZINC001205019429 761884776 /nfs/dbraw/zinc/88/47/76/761884776.db2.gz WCTGYJFOHBUKRN-VXGBXAGGSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCO[C@H](C)CCC(C)C ZINC001205019543 761885114 /nfs/dbraw/zinc/88/51/14/761885114.db2.gz XQLVASOAABNGCT-GFCCVEGCSA-N 0 0 184.323 3.794 20 0 AHADRN CC(C)=CCO[C@@H](C)CCC(C)C ZINC001205019544 761885062 /nfs/dbraw/zinc/88/50/62/761885062.db2.gz XQLVASOAABNGCT-LBPRGKRZSA-N 0 0 184.323 3.794 20 0 AHADRN CC(C)=CCO[C@H]1CC2CCC1CC2 ZINC001205019630 761885018 /nfs/dbraw/zinc/88/50/18/761885018.db2.gz YRUXRKRTGZNEHE-BPCQOVAHSA-N 0 0 194.318 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CC2CCC1CC2 ZINC001205019631 761885884 /nfs/dbraw/zinc/88/58/84/761885884.db2.gz YRUXRKRTGZNEHE-WXRRBKDZSA-N 0 0 194.318 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CCC=CCCC1 ZINC001205025082 761886830 /nfs/dbraw/zinc/88/68/30/761886830.db2.gz BVVOYISLHRDGDG-CYBMUJFWSA-N 0 0 194.318 3.858 20 0 AHADRN CC(C)=CCO[C@H]1CCC=CCCC1 ZINC001205025083 761887544 /nfs/dbraw/zinc/88/75/44/761887544.db2.gz BVVOYISLHRDGDG-ZDUSSCGKSA-N 0 0 194.318 3.858 20 0 AHADRN CC(C)=CCO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001205025146 761887771 /nfs/dbraw/zinc/88/77/71/761887771.db2.gz DEVXYPPHSVDOAB-ITGUQSILSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCOC1[C@@H](C)CCC[C@@H]1C ZINC001205025147 761886625 /nfs/dbraw/zinc/88/66/25/761886625.db2.gz DEVXYPPHSVDOAB-RYUDHWBXSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCOC1[C@H](C)CCC[C@H]1C ZINC001205025148 761887056 /nfs/dbraw/zinc/88/70/56/761887056.db2.gz DEVXYPPHSVDOAB-VXGBXAGGSA-N 0 0 196.334 3.794 20 0 AHADRN CC[C@H]1CC[C@H](OCC=C(C)C)CC1 ZINC001205025269 761887528 /nfs/dbraw/zinc/88/75/28/761887528.db2.gz FRRIYSYOSKPREN-JOCQHMNTSA-N 0 0 196.334 3.938 20 0 AHADRN CCC1CCC(OCC=C(C)C)CC1 ZINC001205025270 761887439 /nfs/dbraw/zinc/88/74/39/761887439.db2.gz FRRIYSYOSKPREN-UHFFFAOYSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)=CCO[C@H](C)C1CCCC1 ZINC001205025546 761886329 /nfs/dbraw/zinc/88/63/29/761886329.db2.gz KFFYVRDHSBVYBD-LLVKDONJSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@@H](C)C1CCCC1 ZINC001205025547 761887420 /nfs/dbraw/zinc/88/74/20/761887420.db2.gz KFFYVRDHSBVYBD-NSHDSACASA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001205025782 761887570 /nfs/dbraw/zinc/88/75/70/761887570.db2.gz MOOSWTYMVVQQLQ-FRRDWIJNSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001205025784 761886761 /nfs/dbraw/zinc/88/67/61/761886761.db2.gz MOOSWTYMVVQQLQ-JHJVBQTASA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001205025785 761887709 /nfs/dbraw/zinc/88/77/09/761887709.db2.gz MOOSWTYMVVQQLQ-RWMBFGLXSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCO[C@@H]1CCC[C@H](C)[C@H]1C ZINC001205025787 761886355 /nfs/dbraw/zinc/88/63/55/761886355.db2.gz MOOSWTYMVVQQLQ-YNEHKIRRSA-N 0 0 196.334 3.794 20 0 AHADRN CC(C)=CCO[C@H]1CC[C@@H](C)CC1 ZINC001205025886 761886939 /nfs/dbraw/zinc/88/69/39/761886939.db2.gz OIKPUNVYEINEHS-TXEJJXNPSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)=CCO[C@@H]1CCCC(C)(C)C1 ZINC001205026284 761887330 /nfs/dbraw/zinc/88/73/30/761887330.db2.gz WJMGEVPRJDRGBP-GFCCVEGCSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)=CCO[C@H]1CCCC(C)(C)C1 ZINC001205026285 761886268 /nfs/dbraw/zinc/88/62/68/761886268.db2.gz WJMGEVPRJDRGBP-LBPRGKRZSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001205042548 761890997 /nfs/dbraw/zinc/89/09/97/761890997.db2.gz AJIDVNDIPLONJQ-AIIUZBJTSA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001205042555 761891224 /nfs/dbraw/zinc/89/12/24/761891224.db2.gz AJIDVNDIPLONJQ-CYLBZQBVSA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001205042556 761890841 /nfs/dbraw/zinc/89/08/41/761890841.db2.gz AJIDVNDIPLONJQ-IEVRTODYSA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001205042557 761890362 /nfs/dbraw/zinc/89/03/62/761890362.db2.gz AJIDVNDIPLONJQ-WTIVYXKASA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@H](CCC)[C@@H](C)CC ZINC001205042611 761890351 /nfs/dbraw/zinc/89/03/51/761890351.db2.gz BMEFPGCZSQEYNV-JZUADKBYSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CCC)[C@@H](C)CC ZINC001205042612 761890661 /nfs/dbraw/zinc/89/06/61/761890661.db2.gz BMEFPGCZSQEYNV-LHXDFBSTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CCC)[C@H](C)CC ZINC001205042613 761891138 /nfs/dbraw/zinc/89/11/38/761891138.db2.gz BMEFPGCZSQEYNV-XPMWWOIKSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CCC)[C@H](C)CC ZINC001205042614 761891520 /nfs/dbraw/zinc/89/15/20/761891520.db2.gz BMEFPGCZSQEYNV-ZOUVEMKTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H]1CCCC[C@H]1CC ZINC001205042635 761891402 /nfs/dbraw/zinc/89/14/02/761891402.db2.gz BYWQGTSELWJADM-CHULQOHASA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@H]1CCCC[C@@H]1CC ZINC001205042636 761890964 /nfs/dbraw/zinc/89/09/64/761890964.db2.gz BYWQGTSELWJADM-SCBUBVSKSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@@H]1CCCC[C@@H]1CC ZINC001205042637 761890097 /nfs/dbraw/zinc/89/00/97/761890097.db2.gz BYWQGTSELWJADM-UHOOHFNOSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@@H]1CCCC[C@H]1CC ZINC001205042638 761891296 /nfs/dbraw/zinc/89/12/96/761891296.db2.gz BYWQGTSELWJADM-WEPHUFDCSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/COC1CCC(C)(C)CC1 ZINC001205042908 761891473 /nfs/dbraw/zinc/89/14/73/761891473.db2.gz DXDZYGXKICBMMQ-SNAWJCMRSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@H](CC)CCCCC ZINC001205043041 761890387 /nfs/dbraw/zinc/89/03/87/761890387.db2.gz HUMJCDRSFBFYFD-FZKGZDJFSA-N 0 0 184.323 3.938 20 0 AHADRN C/C=C/CO[C@@H](CC)CCCCC ZINC001205043042 761890740 /nfs/dbraw/zinc/89/07/40/761890740.db2.gz HUMJCDRSFBFYFD-ZCRIDZFUSA-N 0 0 184.323 3.938 20 0 AHADRN C/C=C/CO[C@H](CC)C[C@@H](C)CC ZINC001205043091 761891098 /nfs/dbraw/zinc/89/10/98/761891098.db2.gz IMJOTJFZAJJDRK-JZUADKBYSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CC)C[C@@H](C)CC ZINC001205043092 761891516 /nfs/dbraw/zinc/89/15/16/761891516.db2.gz IMJOTJFZAJJDRK-LHXDFBSTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CC)C[C@H](C)CC ZINC001205043093 761890469 /nfs/dbraw/zinc/89/04/69/761890469.db2.gz IMJOTJFZAJJDRK-XPMWWOIKSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CC)C[C@H](C)CC ZINC001205043095 761891131 /nfs/dbraw/zinc/89/11/31/761891131.db2.gz IMJOTJFZAJJDRK-ZOUVEMKTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/COC1CCC(C(C)C)CC1 ZINC001205043154 761890947 /nfs/dbraw/zinc/89/09/47/761890947.db2.gz JWTSZGRHVHTGLH-SNAWJCMRSA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@H](CC(C)C)C(C)C ZINC001205043188 761890893 /nfs/dbraw/zinc/89/08/93/761890893.db2.gz LHEGLAHLHIQWKK-NNNHXZLVSA-N 0 0 184.323 3.650 20 0 AHADRN C/C=C/CO[C@@H](CC(C)C)C(C)C ZINC001205043189 761890220 /nfs/dbraw/zinc/89/02/20/761890220.db2.gz LHEGLAHLHIQWKK-SYTKJHMZSA-N 0 0 184.323 3.650 20 0 AHADRN C/C=C/COC1CCC(CCC)CC1 ZINC001205043322 761890498 /nfs/dbraw/zinc/89/04/98/761890498.db2.gz NFENUHBUPMWBEO-HWKANZROSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@H](C)CCCC(C)C ZINC001205043360 761890583 /nfs/dbraw/zinc/89/05/83/761890583.db2.gz NUWKGJINOGAWOW-BTDICHCPSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](C)CCCC(C)C ZINC001205043361 761891268 /nfs/dbraw/zinc/89/12/68/761891268.db2.gz NUWKGJINOGAWOW-FYJFLYSWSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](C)CCCCCC ZINC001205043394 761890305 /nfs/dbraw/zinc/89/03/05/761890305.db2.gz OJQQTGFCVLXGFM-PZBABLGHSA-N 0 0 184.323 3.938 20 0 AHADRN C/C=C/CO[C@H](C)CCC=C(C)C ZINC001205043398 761891108 /nfs/dbraw/zinc/89/11/08/761891108.db2.gz OPIGNVJQTJREKM-BTDICHCPSA-N 0 0 182.307 3.714 20 0 AHADRN C/C=C/CO[C@@H](C)CCC=C(C)C ZINC001205043399 761890057 /nfs/dbraw/zinc/89/00/57/761890057.db2.gz OPIGNVJQTJREKM-FYJFLYSWSA-N 0 0 182.307 3.714 20 0 AHADRN C/C=C/CO[C@H](C)CCCCC ZINC001205043442 761890807 /nfs/dbraw/zinc/89/08/07/761890807.db2.gz PXZOVHDTNFWRNS-OKPNEXGHSA-N 0 0 170.296 3.548 20 0 AHADRN C/C=C/CO[C@@H](C)CCCCC ZINC001205043443 761890330 /nfs/dbraw/zinc/89/03/30/761890330.db2.gz PXZOVHDTNFWRNS-ZRQQLDRUSA-N 0 0 170.296 3.548 20 0 AHADRN C/C=C/CO[C@@H](CCC)C(C)(C)C ZINC001205043474 761891494 /nfs/dbraw/zinc/89/14/94/761891494.db2.gz QNYFZLWAPBTKME-IOCXFXADSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CCC)C(C)(C)C ZINC001205043475 761890441 /nfs/dbraw/zinc/89/04/41/761890441.db2.gz QNYFZLWAPBTKME-LXSSAFMLSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CC)CCCC ZINC001205043530 761890665 /nfs/dbraw/zinc/89/06/65/761890665.db2.gz RNKGVPHQURMFDL-AYLMVEPYSA-N 0 0 170.296 3.548 20 0 AHADRN C/C=C/CO[C@@H](CC)CCCC ZINC001205043531 761891128 /nfs/dbraw/zinc/89/11/28/761891128.db2.gz RNKGVPHQURMFDL-BWNDKRECSA-N 0 0 170.296 3.548 20 0 AHADRN C/C=C/CO[C@H](CC)C(CC)CC ZINC001205043668 761890488 /nfs/dbraw/zinc/89/04/88/761890488.db2.gz RXESMPIOCZISGB-BIPYJSMBSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CC)C(CC)CC ZINC001205043669 761891371 /nfs/dbraw/zinc/89/13/71/761891371.db2.gz RXESMPIOCZISGB-LHXVZLOVSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CC)c1ccccc1 ZINC001205043686 761890484 /nfs/dbraw/zinc/89/04/84/761890484.db2.gz SSMQICNVPAURJS-MASHWEEQSA-N 0 0 190.286 3.730 20 0 AHADRN C/C=C/CO[C@@H](C)c1ccccc1C ZINC001205043940 761892839 /nfs/dbraw/zinc/89/28/39/761892839.db2.gz VMEPNEJVJJCOCF-ITKZLYELSA-N 0 0 190.286 3.649 20 0 AHADRN C/C=C/CO[C@H](C)c1ccccc1C ZINC001205043941 761891863 /nfs/dbraw/zinc/89/18/63/761891863.db2.gz VMEPNEJVJJCOCF-ZYOFXKKJSA-N 0 0 190.286 3.649 20 0 AHADRN C/C=C/CO[C@@H](C)c1cccc(C)c1 ZINC001205044065 761892993 /nfs/dbraw/zinc/89/29/93/761892993.db2.gz ZDLWLYPVYQRQOY-ITKZLYELSA-N 0 0 190.286 3.649 20 0 AHADRN C/C=C/CO[C@H](CCC)CCCC ZINC001205049889 761893055 /nfs/dbraw/zinc/89/30/55/761893055.db2.gz AQUXCBINGBNAOZ-FZKGZDJFSA-N 0 0 184.323 3.938 20 0 AHADRN C/C=C/CO[C@@H](CCC)CCCC ZINC001205049891 761892479 /nfs/dbraw/zinc/89/24/79/761892479.db2.gz AQUXCBINGBNAOZ-ZCRIDZFUSA-N 0 0 184.323 3.938 20 0 AHADRN C/C=C/CO[C@@H](C)CC[C@H](C)CC ZINC001205049948 761892624 /nfs/dbraw/zinc/89/26/24/761892624.db2.gz BWGYGBSCBIXYLC-BAEOLTKYSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](C)CC[C@@H](C)CC ZINC001205049949 761892068 /nfs/dbraw/zinc/89/20/68/761892068.db2.gz BWGYGBSCBIXYLC-GAEWNOSXSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](C)CC[C@H](C)CC ZINC001205049951 761892720 /nfs/dbraw/zinc/89/27/20/761892720.db2.gz BWGYGBSCBIXYLC-ONYUAGEFSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](C)CC[C@@H](C)CC ZINC001205049953 761892432 /nfs/dbraw/zinc/89/24/32/761892432.db2.gz BWGYGBSCBIXYLC-YILIYONBSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H]1CCCC(C)(C)C1 ZINC001205050450 761891986 /nfs/dbraw/zinc/89/19/86/761891986.db2.gz FGBQTZNBVFYJMF-SGUJLRQBSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@H]1CCCC(C)(C)C1 ZINC001205050453 761892410 /nfs/dbraw/zinc/89/24/10/761892410.db2.gz FGBQTZNBVFYJMF-ZWNMCFTASA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/COC1CCCCCCC1 ZINC001205050535 761892881 /nfs/dbraw/zinc/89/28/81/761892881.db2.gz FZSWMMUPJRBJNA-NSCUHMNNSA-N 0 0 182.307 3.692 20 0 AHADRN C/C=C/CO[C@H]1CC[C@H](CC)CC1 ZINC001205050932 761891865 /nfs/dbraw/zinc/89/18/65/761891865.db2.gz HRQLEPCZZFIFIU-GNBMTSKZSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/COC1CCC(CC)CC1 ZINC001205050933 761892829 /nfs/dbraw/zinc/89/28/29/761892829.db2.gz HRQLEPCZZFIFIU-HWKANZROSA-N 0 0 182.307 3.548 20 0 AHADRN C/C=C/CO[C@@H](CC)/C(C)=C/CC ZINC001205051043 761893084 /nfs/dbraw/zinc/89/30/84/761893084.db2.gz JBQJTRRPMJJKFK-BQPKYZEISA-N 0 0 182.307 3.714 20 0 AHADRN C/C=C/CO[C@H](CC)/C(C)=C/CC ZINC001205051045 761892259 /nfs/dbraw/zinc/89/22/59/761892259.db2.gz JBQJTRRPMJJKFK-WTHCFSPWSA-N 0 0 182.307 3.714 20 0 AHADRN C/C=C/CO[C@H]1CC[C@H](C(C)C)CC1 ZINC001205051142 761892227 /nfs/dbraw/zinc/89/22/27/761892227.db2.gz JWTSZGRHVHTGLH-SOICHRRHSA-N 0 0 196.334 3.794 20 0 AHADRN C/C=C/CO[C@H](CC)[C@@H](C)CCC ZINC001205051146 761891968 /nfs/dbraw/zinc/89/19/68/761891968.db2.gz KBOFKIXLOWAODD-JZUADKBYSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CC)[C@@H](C)CCC ZINC001205051147 761892702 /nfs/dbraw/zinc/89/27/02/761892702.db2.gz KBOFKIXLOWAODD-LHXDFBSTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@@H](CC)[C@H](C)CCC ZINC001205051148 761892254 /nfs/dbraw/zinc/89/22/54/761892254.db2.gz KBOFKIXLOWAODD-XPMWWOIKSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H](CC)[C@H](C)CCC ZINC001205051149 761893120 /nfs/dbraw/zinc/89/31/20/761893120.db2.gz KBOFKIXLOWAODD-ZOUVEMKTSA-N 0 0 184.323 3.794 20 0 AHADRN C/C=C/CO[C@H]1CCCC[C@H]1CCC ZINC001205051578 761892245 /nfs/dbraw/zinc/89/22/45/761892245.db2.gz QWICKDXKJOIKEU-CBSYICTRSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@H]1CCCC[C@@H]1CCC ZINC001205051579 761893129 /nfs/dbraw/zinc/89/31/29/761893129.db2.gz QWICKDXKJOIKEU-CDBNLRSOSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@@H]1CCCC[C@H]1CCC ZINC001205051580 761892623 /nfs/dbraw/zinc/89/26/23/761892623.db2.gz QWICKDXKJOIKEU-UXOHQCDBSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@@H]1CCCC[C@@H]1CCC ZINC001205051581 761892077 /nfs/dbraw/zinc/89/20/77/761892077.db2.gz QWICKDXKJOIKEU-ZTGIWPAFSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/CO[C@@H](C)c1ccc(C)cc1 ZINC001205051582 761892550 /nfs/dbraw/zinc/89/25/50/761892550.db2.gz QXSMHVDEOLPAID-ITKZLYELSA-N 0 0 190.286 3.649 20 0 AHADRN C/C=C/CO[C@H](C)c1ccc(C)cc1 ZINC001205051583 761893006 /nfs/dbraw/zinc/89/30/06/761893006.db2.gz QXSMHVDEOLPAID-ZYOFXKKJSA-N 0 0 190.286 3.649 20 0 AHADRN C/C=C/CO[C@H](C)/C=C/CCCC ZINC001205051584 761893236 /nfs/dbraw/zinc/89/32/36/761893236.db2.gz QYEGQPUOPPHZMT-BBADGORWSA-N 0 0 182.307 3.714 20 0 AHADRN C/C=C/CO[C@@H](C)/C=C/CCCC ZINC001205051585 761892130 /nfs/dbraw/zinc/89/21/30/761892130.db2.gz QYEGQPUOPPHZMT-OLAZEZGRSA-N 0 0 182.307 3.714 20 0 AHADRN CCCC[C@@H](C)OCCC(C)C ZINC001205078787 761893636 /nfs/dbraw/zinc/89/36/36/761893636.db2.gz JOOHMZRLEHFZFO-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](C)OCCC(C)C ZINC001205078789 761894191 /nfs/dbraw/zinc/89/41/91/761894191.db2.gz JOOHMZRLEHFZFO-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CC(C)CCO[C@@H](C)c1cccs1 ZINC001205079288 761893512 /nfs/dbraw/zinc/89/35/12/761893512.db2.gz RBVUKSGFGXWCHD-JTQLQIEISA-N 0 0 198.331 3.872 20 0 AHADRN CC(C)CCO[C@H](C)c1cccs1 ZINC001205079289 761894589 /nfs/dbraw/zinc/89/45/89/761894589.db2.gz RBVUKSGFGXWCHD-SNVBAGLBSA-N 0 0 198.331 3.872 20 0 AHADRN CCC[C@@H](CC)OCCC(C)C ZINC001205079401 761894798 /nfs/dbraw/zinc/89/47/98/761894798.db2.gz UYTBVLRJILTCHH-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCC[C@H](CC)OCCC(C)C ZINC001205079402 761894360 /nfs/dbraw/zinc/89/43/60/761894360.db2.gz UYTBVLRJILTCHH-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CC(C)CCO[C@@H]1CCC=CCCC1 ZINC001205084931 761894054 /nfs/dbraw/zinc/89/40/54/761894054.db2.gz FEQREMKLOAFHPU-CYBMUJFWSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)CCO[C@H]1CCC=CCCC1 ZINC001205084932 761893614 /nfs/dbraw/zinc/89/36/14/761893614.db2.gz FEQREMKLOAFHPU-ZDUSSCGKSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)CCO[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001205085084 761893863 /nfs/dbraw/zinc/89/38/63/761893863.db2.gz HHLNDFVINQQVPR-FRRDWIJNSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1C[C@H](C)CC[C@H]1C ZINC001205085085 761894317 /nfs/dbraw/zinc/89/43/17/761894317.db2.gz HHLNDFVINQQVPR-JHJVBQTASA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001205085086 761894767 /nfs/dbraw/zinc/89/47/67/761894767.db2.gz HHLNDFVINQQVPR-RWMBFGLXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001205085087 761894249 /nfs/dbraw/zinc/89/42/49/761894249.db2.gz HHLNDFVINQQVPR-YNEHKIRRSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001205085112 761894772 /nfs/dbraw/zinc/89/47/72/761894772.db2.gz ICMBALSCOBUPEG-ITGUQSILSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCOC1[C@@H](C)CCC[C@@H]1C ZINC001205085113 761894252 /nfs/dbraw/zinc/89/42/52/761894252.db2.gz ICMBALSCOBUPEG-RYUDHWBXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCOC1[C@H](C)CCC[C@H]1C ZINC001205085114 761893914 /nfs/dbraw/zinc/89/39/14/761893914.db2.gz ICMBALSCOBUPEG-VXGBXAGGSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@@H](OCCC(C)C)C(C)(C)C ZINC001205085168 761895289 /nfs/dbraw/zinc/89/52/89/761895289.db2.gz JMUPCCYISZXNIP-LLVKDONJSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](OCCC(C)C)C(C)(C)C ZINC001205085172 761895774 /nfs/dbraw/zinc/89/57/74/761895774.db2.gz JMUPCCYISZXNIP-NSHDSACASA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCO[C@H]1CC2CCC1CC2 ZINC001205085359 761895605 /nfs/dbraw/zinc/89/56/05/761895605.db2.gz NCGZTURYDYOIAY-BPCQOVAHSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)CCO[C@@H]1CC2CCC1CC2 ZINC001205085360 761896034 /nfs/dbraw/zinc/89/60/34/761896034.db2.gz NCGZTURYDYOIAY-WXRRBKDZSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)CCO[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001205085621 761895637 /nfs/dbraw/zinc/89/56/37/761895637.db2.gz OYXIESMVGXFWCZ-FRRDWIJNSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001205085622 761895955 /nfs/dbraw/zinc/89/59/55/761895955.db2.gz OYXIESMVGXFWCZ-JHJVBQTASA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001205085623 761896436 /nfs/dbraw/zinc/89/64/36/761896436.db2.gz OYXIESMVGXFWCZ-RWMBFGLXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001205085624 761896723 /nfs/dbraw/zinc/89/67/23/761896723.db2.gz OYXIESMVGXFWCZ-YNEHKIRRSA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@@H](OCCC(C)C)C(C)C ZINC001205085643 761896140 /nfs/dbraw/zinc/89/61/40/761896140.db2.gz PNYZUELKOPWKFK-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OCCC(C)C)C(C)C ZINC001205085644 761896113 /nfs/dbraw/zinc/89/61/13/761896113.db2.gz PNYZUELKOPWKFK-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCO[C@H]1CC[C@H](C)CC1 ZINC001205085672 761896686 /nfs/dbraw/zinc/89/66/86/761896686.db2.gz QLOCSKLFNSCQRY-HAQNSBGRSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCO[C@H]1CC[C@@H](C)CC1 ZINC001205085673 761895825 /nfs/dbraw/zinc/89/58/25/761895825.db2.gz QLOCSKLFNSCQRY-TXEJJXNPSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCOC1CCC(C)CC1 ZINC001205085674 761895846 /nfs/dbraw/zinc/89/58/46/761895846.db2.gz QLOCSKLFNSCQRY-UHFFFAOYSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001205085951 761896527 /nfs/dbraw/zinc/89/65/27/761896527.db2.gz RWEASWXEHAFUJI-ITGUQSILSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCOC1C[C@@H](C)C[C@H](C)C1 ZINC001205085952 761896063 /nfs/dbraw/zinc/89/60/63/761896063.db2.gz RWEASWXEHAFUJI-RYUDHWBXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCOC1C[C@H](C)C[C@@H](C)C1 ZINC001205085953 761895519 /nfs/dbraw/zinc/89/55/19/761895519.db2.gz RWEASWXEHAFUJI-VXGBXAGGSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@H](C)CCC(C)C ZINC001205085976 761895670 /nfs/dbraw/zinc/89/56/70/761895670.db2.gz SSQYXBGNGJPCES-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCO[C@@H](C)CCC(C)C ZINC001205085977 761896696 /nfs/dbraw/zinc/89/66/96/761896696.db2.gz SSQYXBGNGJPCES-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCOC1CCCCCC1 ZINC001205086013 761896055 /nfs/dbraw/zinc/89/60/55/761896055.db2.gz USDYPMUTOSDASE-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN CC(C)CCO[C@H](C)C1CCCC1 ZINC001205086208 761895313 /nfs/dbraw/zinc/89/53/13/761895313.db2.gz XGURFABSFWVXMF-LLVKDONJSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCO[C@@H](C)C1CCCC1 ZINC001205086210 761896191 /nfs/dbraw/zinc/89/61/91/761896191.db2.gz XGURFABSFWVXMF-NSHDSACASA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCO[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001205086319 761896491 /nfs/dbraw/zinc/89/64/91/761896491.db2.gz YPUYPZKEGOUMOI-FRRDWIJNSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001205086320 761895887 /nfs/dbraw/zinc/89/58/87/761895887.db2.gz YPUYPZKEGOUMOI-JHJVBQTASA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001205086321 761896537 /nfs/dbraw/zinc/89/65/37/761896537.db2.gz YPUYPZKEGOUMOI-RWMBFGLXSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCO[C@@H]1CCC[C@H](C)[C@H]1C ZINC001205086322 761896133 /nfs/dbraw/zinc/89/61/33/761896133.db2.gz YPUYPZKEGOUMOI-YNEHKIRRSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)CCOC(C(C)C)C(C)C ZINC001205086361 761895422 /nfs/dbraw/zinc/89/54/22/761895422.db2.gz ZZWFPMWBRKPCGG-UHFFFAOYSA-N 0 0 186.339 3.730 20 0 AHADRN CCCO[C@@H](C)c1ccc(Cl)cc1 ZINC001205090546 761895502 /nfs/dbraw/zinc/89/55/02/761895502.db2.gz FFQPLAHHWAGUBI-VIFPVBQESA-N 0 0 198.693 3.828 20 0 AHADRN CCCOC(CC(C)C)CC(C)C ZINC001205090584 761895616 /nfs/dbraw/zinc/89/56/16/761895616.db2.gz GFOPBIHGQLNSTC-UHFFFAOYSA-N 0 0 186.339 3.874 20 0 AHADRN CCCO[C@@H](c1ccccc1)C(C)C ZINC001205090980 761896516 /nfs/dbraw/zinc/89/65/16/761896516.db2.gz KTJXDRHMKAYJHB-CYBMUJFWSA-N 0 0 192.302 3.810 20 0 AHADRN CCCO[C@H](c1ccccc1)C(C)C ZINC001205090981 761895854 /nfs/dbraw/zinc/89/58/54/761895854.db2.gz KTJXDRHMKAYJHB-ZDUSSCGKSA-N 0 0 192.302 3.810 20 0 AHADRN CCCO[C@H](CC)C(CC)CC ZINC001205091016 761895796 /nfs/dbraw/zinc/89/57/96/761895796.db2.gz MSKSTOSXSMSNBJ-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](CC)C(CC)CC ZINC001205091017 761896627 /nfs/dbraw/zinc/89/66/27/761896627.db2.gz MSKSTOSXSMSNBJ-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](CCC)[C@H](C)CC ZINC001205091044 761895596 /nfs/dbraw/zinc/89/55/96/761895596.db2.gz OSFPPWAUMVMLRS-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](CCC)[C@H](C)CC ZINC001205091045 761896013 /nfs/dbraw/zinc/89/60/13/761896013.db2.gz OSFPPWAUMVMLRS-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](CCC)[C@@H](C)CC ZINC001205091046 761896368 /nfs/dbraw/zinc/89/63/68/761896368.db2.gz OSFPPWAUMVMLRS-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](CCC)[C@@H](C)CC ZINC001205091047 761895908 /nfs/dbraw/zinc/89/59/08/761895908.db2.gz OSFPPWAUMVMLRS-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001205091192 761895267 /nfs/dbraw/zinc/89/52/67/761895267.db2.gz RCQJZKRGADVFNR-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN CCCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001205091199 761896254 /nfs/dbraw/zinc/89/62/54/761896254.db2.gz RCQJZKRGADVFNR-MNOVXSKESA-N 0 0 184.323 3.628 20 0 AHADRN CCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001205091201 761895663 /nfs/dbraw/zinc/89/56/63/761895663.db2.gz RCQJZKRGADVFNR-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN CCCO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001205091209 761896282 /nfs/dbraw/zinc/89/62/82/761896282.db2.gz RCQJZKRGADVFNR-WDEREUQCSA-N 0 0 184.323 3.628 20 0 AHADRN CCCO[C@H](C)c1ccccc1Cl ZINC001205091296 761895625 /nfs/dbraw/zinc/89/56/25/761895625.db2.gz RLKAQSCQNFMRCM-SECBINFHSA-N 0 0 198.693 3.828 20 0 AHADRN CCCO[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC001205091328 761896059 /nfs/dbraw/zinc/89/60/59/761896059.db2.gz RYXNQCISHCEMIU-GMXVVIOVSA-N 0 0 196.334 3.628 20 0 AHADRN CCCO[C@@H](CCC)C(C)(C)C ZINC001205091506 761897379 /nfs/dbraw/zinc/89/73/79/761897379.db2.gz XONOTEPDZRJSTH-JTQLQIEISA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](CCC)C(C)(C)C ZINC001205091509 761898461 /nfs/dbraw/zinc/89/84/61/761898461.db2.gz XONOTEPDZRJSTH-SNVBAGLBSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](c1ccccc1)C1CC1 ZINC001205091549 761897280 /nfs/dbraw/zinc/89/72/80/761897280.db2.gz YQBZHISZKXPLCM-CYBMUJFWSA-N 0 0 190.286 3.564 20 0 AHADRN CCCO[C@@H](c1ccccc1)C1CC1 ZINC001205091550 761897421 /nfs/dbraw/zinc/89/74/21/761897421.db2.gz YQBZHISZKXPLCM-ZDUSSCGKSA-N 0 0 190.286 3.564 20 0 AHADRN CCCO[C@H](CC)[C@H](C)CCC ZINC001205098223 761896996 /nfs/dbraw/zinc/89/69/96/761896996.db2.gz BHDBFDRQFZCSGS-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](CC)[C@H](C)CCC ZINC001205098224 761897478 /nfs/dbraw/zinc/89/74/78/761897478.db2.gz BHDBFDRQFZCSGS-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](CC)[C@@H](C)CCC ZINC001205098225 761897902 /nfs/dbraw/zinc/89/79/02/761897902.db2.gz BHDBFDRQFZCSGS-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](CC)[C@@H](C)CCC ZINC001205098226 761898254 /nfs/dbraw/zinc/89/82/54/761898254.db2.gz BHDBFDRQFZCSGS-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H]1CC[C@H](C(C)C)CC1 ZINC001205098234 761897672 /nfs/dbraw/zinc/89/76/72/761897672.db2.gz BTNZJPZTVYZHSB-HAQNSBGRSA-N 0 0 184.323 3.628 20 0 AHADRN CCCO[C@H](C)CCC=C(C)C ZINC001205098273 761897961 /nfs/dbraw/zinc/89/79/61/761897961.db2.gz CQSTWVQGTBILKX-LLVKDONJSA-N 0 0 170.296 3.548 20 0 AHADRN CCCO[C@@H](C)CCC=C(C)C ZINC001205098281 761897542 /nfs/dbraw/zinc/89/75/42/761897542.db2.gz CQSTWVQGTBILKX-NSHDSACASA-N 0 0 170.296 3.548 20 0 AHADRN CCCO[C@@H](C(C)C)[C@H](C)CCC ZINC001205098289 761898208 /nfs/dbraw/zinc/89/82/08/761898208.db2.gz DCOPXXWQUMGCCC-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CCCO[C@H](C(C)C)[C@H](C)CCC ZINC001205098291 761897174 /nfs/dbraw/zinc/89/71/74/761897174.db2.gz DCOPXXWQUMGCCC-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN C/C=C/[C@H](OCCC)C1CCCCC1 ZINC001205098307 761898503 /nfs/dbraw/zinc/89/85/03/761898503.db2.gz DKPCHYPGYMSARQ-UTPRNQHHSA-N 0 0 196.334 3.938 20 0 AHADRN C/C=C/[C@@H](OCCC)C1CCCCC1 ZINC001205098308 761897306 /nfs/dbraw/zinc/89/73/06/761897306.db2.gz DKPCHYPGYMSARQ-ZHAHRWAOSA-N 0 0 196.334 3.938 20 0 AHADRN CCCO[C@H](C)c1cccc(Cl)c1 ZINC001205098577 761897569 /nfs/dbraw/zinc/89/75/69/761897569.db2.gz GQHCJAIQFADVFS-SECBINFHSA-N 0 0 198.693 3.828 20 0 AHADRN CCCO[C@@H](C)c1cccc(Cl)c1 ZINC001205098579 761897342 /nfs/dbraw/zinc/89/73/42/761897342.db2.gz GQHCJAIQFADVFS-VIFPVBQESA-N 0 0 198.693 3.828 20 0 AHADRN CCCC/C=C/[C@@H](C)OCCC ZINC001205098589 761897047 /nfs/dbraw/zinc/89/70/47/761897047.db2.gz GSCJASXPZFKSAK-ANYFNZRUSA-N 0 0 170.296 3.548 20 0 AHADRN CCCC/C=C/[C@H](C)OCCC ZINC001205098590 761897161 /nfs/dbraw/zinc/89/71/61/761897161.db2.gz GSCJASXPZFKSAK-FBOQAHMBSA-N 0 0 170.296 3.548 20 0 AHADRN CCCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001205098628 761897536 /nfs/dbraw/zinc/89/75/36/761897536.db2.gz HGJPDVXORJPMOM-FRRDWIJNSA-N 0 0 196.334 3.772 20 0 AHADRN CCCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001205098629 761898578 /nfs/dbraw/zinc/89/85/78/761898578.db2.gz HGJPDVXORJPMOM-JHJVBQTASA-N 0 0 196.334 3.772 20 0 AHADRN CCCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001205098651 761897417 /nfs/dbraw/zinc/89/74/17/761897417.db2.gz HGJPDVXORJPMOM-RWMBFGLXSA-N 0 0 196.334 3.772 20 0 AHADRN CCCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001205098664 761896997 /nfs/dbraw/zinc/89/69/97/761896997.db2.gz HGJPDVXORJPMOM-YNEHKIRRSA-N 0 0 196.334 3.772 20 0 AHADRN CCCC[C@@H](CCC)OCCC ZINC001205098777 761897372 /nfs/dbraw/zinc/89/73/72/761897372.db2.gz IGRAQKXFFIHQKI-LLVKDONJSA-N 0 0 172.312 3.772 20 0 AHADRN CCCC[C@H](CCC)OCCC ZINC001205098779 761897587 /nfs/dbraw/zinc/89/75/87/761897587.db2.gz IGRAQKXFFIHQKI-NSHDSACASA-N 0 0 172.312 3.772 20 0 AHADRN CCCO[C@H](CCC)c1ccccc1 ZINC001205098853 761897319 /nfs/dbraw/zinc/89/73/19/761897319.db2.gz KQFQJSAWUKIMKR-CYBMUJFWSA-N 0 0 192.302 3.954 20 0 AHADRN CCCO[C@@H](CCC)c1ccccc1 ZINC001205098854 761897149 /nfs/dbraw/zinc/89/71/49/761897149.db2.gz KQFQJSAWUKIMKR-ZDUSSCGKSA-N 0 0 192.302 3.954 20 0 AHADRN CCCO[C@H](C)CCCC(C)C ZINC001205099368 761897556 /nfs/dbraw/zinc/89/75/56/761897556.db2.gz RNQGWYPAWONCHZ-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](C)CCCC(C)C ZINC001205099369 761898425 /nfs/dbraw/zinc/89/84/25/761898425.db2.gz RNQGWYPAWONCHZ-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](C)CC[C@H](C)CC ZINC001205099554 761898020 /nfs/dbraw/zinc/89/80/20/761898020.db2.gz VXMIRGUGLZPLTO-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](C)CC[C@H](C)CC ZINC001205099555 761897131 /nfs/dbraw/zinc/89/71/31/761897131.db2.gz VXMIRGUGLZPLTO-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@@H](C)CC[C@@H](C)CC ZINC001205099556 761897583 /nfs/dbraw/zinc/89/75/83/761897583.db2.gz VXMIRGUGLZPLTO-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCO[C@H](C)CC[C@@H](C)CC ZINC001205099557 761898470 /nfs/dbraw/zinc/89/84/70/761898470.db2.gz VXMIRGUGLZPLTO-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CC/C=C(\C)[C@@H](CC)OCCC ZINC001205099581 761898499 /nfs/dbraw/zinc/89/84/99/761898499.db2.gz WMCZDQPWBGFSIH-RJCSOLBVSA-N 0 0 170.296 3.548 20 0 AHADRN CC/C=C(\C)[C@H](CC)OCCC ZINC001205099582 761898115 /nfs/dbraw/zinc/89/81/15/761898115.db2.gz WMCZDQPWBGFSIH-UQSGXBNBSA-N 0 0 170.296 3.548 20 0 AHADRN CCCO[C@H](C)c1ccc(C)cc1C ZINC001205099599 761897544 /nfs/dbraw/zinc/89/75/44/761897544.db2.gz WYOKFTQIWPXUFR-GFCCVEGCSA-N 0 0 192.302 3.791 20 0 AHADRN CCCO[C@@H](C)c1ccc(C)cc1C ZINC001205099600 761897099 /nfs/dbraw/zinc/89/70/99/761897099.db2.gz WYOKFTQIWPXUFR-LBPRGKRZSA-N 0 0 192.302 3.791 20 0 AHADRN CCCO[C@H]1CCCC[C@H]1CCC ZINC001205099698 761898221 /nfs/dbraw/zinc/89/82/21/761898221.db2.gz YNGLXMBOUBHTIG-NEPJUHHUSA-N 0 0 184.323 3.772 20 0 AHADRN CCCO[C@@H]1CCCC[C@@H]1CCC ZINC001205099699 761897102 /nfs/dbraw/zinc/89/71/02/761897102.db2.gz YNGLXMBOUBHTIG-NWDGAFQWSA-N 0 0 184.323 3.772 20 0 AHADRN CCCO[C@H]1CCCC[C@@H]1CCC ZINC001205099700 761897402 /nfs/dbraw/zinc/89/74/02/761897402.db2.gz YNGLXMBOUBHTIG-RYUDHWBXSA-N 0 0 184.323 3.772 20 0 AHADRN CCCO[C@@H]1CCCC[C@H]1CCC ZINC001205099701 761897853 /nfs/dbraw/zinc/89/78/53/761897853.db2.gz YNGLXMBOUBHTIG-VXGBXAGGSA-N 0 0 184.323 3.772 20 0 AHADRN CCCO[C@H](CC)c1ccccc1F ZINC001205099719 761897255 /nfs/dbraw/zinc/89/72/55/761897255.db2.gz ZJKOZGCYHXEKKW-GFCCVEGCSA-N 0 0 196.265 3.703 20 0 AHADRN CCCO[C@@H](CC)c1ccccc1F ZINC001205099720 761897977 /nfs/dbraw/zinc/89/79/77/761897977.db2.gz ZJKOZGCYHXEKKW-LBPRGKRZSA-N 0 0 196.265 3.703 20 0 AHADRN CCCCO[C@H](C)c1cccs1 ZINC001205133766 761899785 /nfs/dbraw/zinc/89/97/85/761899785.db2.gz IKXCJEXNIHDTFB-SECBINFHSA-N 0 0 184.304 3.626 20 0 AHADRN CCCCO[C@@H](C)c1cccs1 ZINC001205133768 761900728 /nfs/dbraw/zinc/90/07/28/761900728.db2.gz IKXCJEXNIHDTFB-VIFPVBQESA-N 0 0 184.304 3.626 20 0 AHADRN CCCCO[C@@H](C)c1cccc(F)c1 ZINC001205134161 761899600 /nfs/dbraw/zinc/89/96/00/761899600.db2.gz LRRMNAKYBJCABX-JTQLQIEISA-N 0 0 196.265 3.703 20 0 AHADRN CCCCO[C@H](C)c1cccc(F)c1 ZINC001205134164 761900317 /nfs/dbraw/zinc/90/03/17/761900317.db2.gz LRRMNAKYBJCABX-SNVBAGLBSA-N 0 0 196.265 3.703 20 0 AHADRN CCCCOC1CCC(C)(C)CC1 ZINC001205138526 761900924 /nfs/dbraw/zinc/90/09/24/761900924.db2.gz CIPKCKYKSCWVBV-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@H]1CCCC[C@H]1CC ZINC001205138781 761898951 /nfs/dbraw/zinc/89/89/51/761898951.db2.gz GCJHPYIOJSCMDD-NEPJUHHUSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@@H]1CCCC[C@@H]1CC ZINC001205138782 761899345 /nfs/dbraw/zinc/89/93/45/761899345.db2.gz GCJHPYIOJSCMDD-NWDGAFQWSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@H]1CCCC[C@@H]1CC ZINC001205138783 761900755 /nfs/dbraw/zinc/90/07/55/761900755.db2.gz GCJHPYIOJSCMDD-RYUDHWBXSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@@H]1CCCC[C@H]1CC ZINC001205138784 761900589 /nfs/dbraw/zinc/90/05/89/761900589.db2.gz GCJHPYIOJSCMDD-VXGBXAGGSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@@H]1CCC=CCCC1 ZINC001205138791 761899218 /nfs/dbraw/zinc/89/92/18/761899218.db2.gz GJEPVQFPRNOLGK-GFCCVEGCSA-N 0 0 182.307 3.692 20 0 AHADRN CCCCO[C@H]1CCC=CCCC1 ZINC001205138792 761898833 /nfs/dbraw/zinc/89/88/33/761898833.db2.gz GJEPVQFPRNOLGK-LBPRGKRZSA-N 0 0 182.307 3.692 20 0 AHADRN CCCCO[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001205138810 761899142 /nfs/dbraw/zinc/89/91/42/761899142.db2.gz GXVCFJBYFMRQER-GRYCIOLGSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001205138811 761899684 /nfs/dbraw/zinc/89/96/84/761899684.db2.gz GXVCFJBYFMRQER-IJLUTSLNSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001205138812 761900319 /nfs/dbraw/zinc/90/03/19/761900319.db2.gz GXVCFJBYFMRQER-QJPTWQEYSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001205138813 761899570 /nfs/dbraw/zinc/89/95/70/761899570.db2.gz GXVCFJBYFMRQER-SDDRHHMPSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001205139115 761900056 /nfs/dbraw/zinc/90/00/56/761900056.db2.gz KBPVVOUAEBKCIN-GDNZZTSVSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCOC1C[C@H](C)C[C@@H](C)C1 ZINC001205139117 761899224 /nfs/dbraw/zinc/89/92/24/761899224.db2.gz KBPVVOUAEBKCIN-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCOC1C[C@@H](C)C[C@H](C)C1 ZINC001205139119 761899171 /nfs/dbraw/zinc/89/91/71/761899171.db2.gz KBPVVOUAEBKCIN-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001205139148 761899027 /nfs/dbraw/zinc/89/90/27/761899027.db2.gz LBIZNIQMXPFSHJ-GDNZZTSVSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCOC1[C@H](C)CCC[C@H]1C ZINC001205139150 761900261 /nfs/dbraw/zinc/90/02/61/761900261.db2.gz LBIZNIQMXPFSHJ-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCOC1[C@@H](C)CCC[C@@H]1C ZINC001205139152 761899261 /nfs/dbraw/zinc/89/92/61/761899261.db2.gz LBIZNIQMXPFSHJ-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@H](CCC)C(C)C ZINC001205139228 761899154 /nfs/dbraw/zinc/89/91/54/761899154.db2.gz MAGUJEWPCWAADE-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCO[C@@H](CCC)C(C)C ZINC001205139229 761899683 /nfs/dbraw/zinc/89/96/83/761899683.db2.gz MAGUJEWPCWAADE-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CCCCO[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001205139441 761899788 /nfs/dbraw/zinc/89/97/88/761899788.db2.gz QOFXZCAXGFURSD-GRYCIOLGSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1C[C@H](C)CC[C@H]1C ZINC001205139442 761900670 /nfs/dbraw/zinc/90/06/70/761900670.db2.gz QOFXZCAXGFURSD-IJLUTSLNSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001205139443 761899545 /nfs/dbraw/zinc/89/95/45/761899545.db2.gz QOFXZCAXGFURSD-QJPTWQEYSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001205139444 761899336 /nfs/dbraw/zinc/89/93/36/761899336.db2.gz QOFXZCAXGFURSD-SDDRHHMPSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCO[C@H](CC(C)C)C(C)C ZINC001205139477 761900861 /nfs/dbraw/zinc/90/08/61/761900861.db2.gz SNJIVYOLIOMEEA-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CCCCO[C@@H](CC(C)C)C(C)C ZINC001205139478 761899040 /nfs/dbraw/zinc/89/90/40/761899040.db2.gz SNJIVYOLIOMEEA-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CCCC/C=C/[C@@H](C)OCCCC ZINC001205139486 761899591 /nfs/dbraw/zinc/89/95/91/761899591.db2.gz SWLLIRIIIMDYFX-BZYZDCJZSA-N 0 0 184.323 3.938 20 0 AHADRN CCCC/C=C/[C@H](C)OCCCC ZINC001205139487 761900412 /nfs/dbraw/zinc/90/04/12/761900412.db2.gz SWLLIRIIIMDYFX-VMPCVLLUSA-N 0 0 184.323 3.938 20 0 AHADRN CCCCO[C@@H](C)c1cccc(C)c1 ZINC001205139505 761899003 /nfs/dbraw/zinc/89/90/03/761899003.db2.gz UJBJXTPUOOEBFP-LBPRGKRZSA-N 0 0 192.302 3.873 20 0 AHADRN CCCCO[C@H]1CC[C@H](CC)CC1 ZINC001205139514 761901160 /nfs/dbraw/zinc/90/11/60/761901160.db2.gz UMKHAEYMJTVMOO-HAQNSBGRSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCO[C@H](C)c1ccccc1C ZINC001205139529 761899170 /nfs/dbraw/zinc/89/91/70/761899170.db2.gz VBXSZUQFNLGMBF-GFCCVEGCSA-N 0 0 192.302 3.873 20 0 AHADRN CCCCO[C@@H](C)c1ccccc1C 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20 0 AHADRN CCC[C@@H](OCC1CC1)[C@@H](C)CC ZINC001205541744 761954653 /nfs/dbraw/zinc/95/46/53/761954653.db2.gz SSZBBTDXHBDDJX-CMPLNLGQSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@H](OCC1CC1)[C@@H](C)CC ZINC001205541745 761949759 /nfs/dbraw/zinc/94/97/59/761949759.db2.gz SSZBBTDXHBDDJX-JQWIXIFHSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@H](OCC1CC1)[C@H](C)CC ZINC001205541746 761951856 /nfs/dbraw/zinc/95/18/56/761951856.db2.gz SSZBBTDXHBDDJX-PWSUYJOCSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@@H](OCC1CC1)[C@H](C)CC ZINC001205541748 761950681 /nfs/dbraw/zinc/95/06/81/761950681.db2.gz SSZBBTDXHBDDJX-ZYHUDNBSSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@@H]1CCCC[C@H]1OCC1CC1 ZINC001205541997 761953955 /nfs/dbraw/zinc/95/39/55/761953955.db2.gz WMWPXACXZQDWPT-CHWSQXEVSA-N 0 0 196.334 3.772 20 0 AHADRN CCC[C@@H]1CCCC[C@@H]1OCC1CC1 ZINC001205541998 761951171 /nfs/dbraw/zinc/95/11/71/761951171.db2.gz WMWPXACXZQDWPT-OLZOCXBDSA-N 0 0 196.334 3.772 20 0 AHADRN CCC[C@H]1CCCC[C@H]1OCC1CC1 ZINC001205542000 761953906 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196.334 3.772 20 0 AHADRN CC[C@H](OCC1CC1)C1CCCCC1 ZINC001205547078 761966126 /nfs/dbraw/zinc/96/61/26/761966126.db2.gz PAYRORAKICFPFQ-ZDUSSCGKSA-N 0 0 196.334 3.772 20 0 AHADRN CCC[C@H](C)[C@@H](OCC1CC1)C(C)C ZINC001205547207 761962528 /nfs/dbraw/zinc/96/25/28/761962528.db2.gz VDZNVNSIVQXQPM-AAEUAGOBSA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@@H](C)[C@H](OCC1CC1)C(C)C ZINC001205547208 761964311 /nfs/dbraw/zinc/96/43/11/761964311.db2.gz VDZNVNSIVQXQPM-DGCLKSJQSA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@H](C)[C@H](OCC1CC1)C(C)C ZINC001205547209 761959439 /nfs/dbraw/zinc/95/94/39/761959439.db2.gz VDZNVNSIVQXQPM-WCQYABFASA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@@H](C)[C@@H](OCC1CC1)C(C)C ZINC001205547211 761964507 /nfs/dbraw/zinc/96/45/07/761964507.db2.gz VDZNVNSIVQXQPM-YPMHNXCESA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@H](C)[C@@H](CC)OCC1CC1 ZINC001205547409 761963590 /nfs/dbraw/zinc/96/35/90/761963590.db2.gz ZVHYWKYQKYJEMH-CMPLNLGQSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@H](C)[C@H](CC)OCC1CC1 ZINC001205547411 761960462 /nfs/dbraw/zinc/96/04/62/761960462.db2.gz ZVHYWKYQKYJEMH-JQWIXIFHSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@@H](C)[C@H](CC)OCC1CC1 ZINC001205547412 761962582 /nfs/dbraw/zinc/96/25/82/761962582.db2.gz ZVHYWKYQKYJEMH-PWSUYJOCSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@@H](C)[C@@H](CC)OCC1CC1 ZINC001205547414 761966895 /nfs/dbraw/zinc/96/68/95/761966895.db2.gz ZVHYWKYQKYJEMH-ZYHUDNBSSA-N 0 0 184.323 3.628 20 0 AHADRN CC1(C)CCC(OC2CCCC2)CC1 ZINC001205560307 761964537 /nfs/dbraw/zinc/96/45/37/761964537.db2.gz FUQNOSYTZRFRDN-UHFFFAOYSA-N 0 0 196.334 3.914 20 0 AHADRN CCCC[C@@H](CC)OC1CCCC1 ZINC001205560420 761963557 /nfs/dbraw/zinc/96/35/57/761963557.db2.gz HWEQPDOBXUNJNZ-LLVKDONJSA-N 0 0 184.323 3.914 20 0 AHADRN CCCC[C@H](CC)OC1CCCC1 ZINC001205560421 761959845 /nfs/dbraw/zinc/95/98/45/761959845.db2.gz HWEQPDOBXUNJNZ-NSHDSACASA-N 0 0 184.323 3.914 20 0 AHADRN C[C@H]1CC(OC2CCCC2)C[C@H](C)C1 ZINC001205560530 761966813 /nfs/dbraw/zinc/96/68/13/761966813.db2.gz 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ZINC001205560686 761965598 /nfs/dbraw/zinc/96/55/98/761965598.db2.gz MTJXWUCKRJVCJY-SNVBAGLBSA-N 0 0 170.296 3.524 20 0 AHADRN CCCCC[C@@H](C)OC1CCCC1 ZINC001205560725 761959515 /nfs/dbraw/zinc/95/95/15/761959515.db2.gz NAFQKVVIAHJUMO-LLVKDONJSA-N 0 0 184.323 3.914 20 0 AHADRN CCCCC[C@H](C)OC1CCCC1 ZINC001205560729 761963638 /nfs/dbraw/zinc/96/36/38/761963638.db2.gz NAFQKVVIAHJUMO-NSHDSACASA-N 0 0 184.323 3.914 20 0 AHADRN CC[C@H]1CCCC[C@@H]1OC1CCCC1 ZINC001205560784 761959345 /nfs/dbraw/zinc/95/93/45/761959345.db2.gz NRYGVPFWCUVAIV-AAEUAGOBSA-N 0 0 196.334 3.914 20 0 AHADRN CC[C@@H]1CCCC[C@H]1OC1CCCC1 ZINC001205560785 761964029 /nfs/dbraw/zinc/96/40/29/761964029.db2.gz NRYGVPFWCUVAIV-DGCLKSJQSA-N 0 0 196.334 3.914 20 0 AHADRN CC[C@H]1CCCC[C@H]1OC1CCCC1 ZINC001205560786 761966200 /nfs/dbraw/zinc/96/62/00/761966200.db2.gz NRYGVPFWCUVAIV-WCQYABFASA-N 0 0 196.334 3.914 20 0 AHADRN CC[C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC001205560787 761961656 /nfs/dbraw/zinc/96/16/56/761961656.db2.gz 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C[C@@H]1CCC[C@H](OC2CCCC2)C1 ZINC001205561184 761963535 /nfs/dbraw/zinc/96/35/35/761963535.db2.gz UCIDXUIYDRSPFD-PWSUYJOCSA-N 0 0 182.307 3.524 20 0 AHADRN C[C@@H]1CCC[C@@H](OC2CCCC2)C1 ZINC001205561185 761960797 /nfs/dbraw/zinc/96/07/97/761960797.db2.gz UCIDXUIYDRSPFD-ZYHUDNBSSA-N 0 0 182.307 3.524 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@@H](OC2CCCC2)C1 ZINC001205561996 761961150 /nfs/dbraw/zinc/96/11/50/761961150.db2.gz ZXYABNJMSOMRAQ-MDZLAQPJSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@H](OC2CCCC2)C1 ZINC001205561998 761960754 /nfs/dbraw/zinc/96/07/54/761960754.db2.gz ZXYABNJMSOMRAQ-NQBHXWOUSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@H](OC2CCCC2)C1 ZINC001205562002 761958947 /nfs/dbraw/zinc/95/89/47/761958947.db2.gz ZXYABNJMSOMRAQ-NTZNESFSSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@@H](OC2CCCC2)C1 ZINC001205562014 761965532 /nfs/dbraw/zinc/96/55/32/761965532.db2.gz ZXYABNJMSOMRAQ-WZRBSPASSA-N 0 0 196.334 3.770 20 0 AHADRN CCC[C@@H](OC1CCCC1)C(C)C ZINC001205566724 761966017 /nfs/dbraw/zinc/96/60/17/761966017.db2.gz GRESVRYOLVTYKY-GFCCVEGCSA-N 0 0 184.323 3.770 20 0 AHADRN CCC[C@H](OC1CCCC1)C(C)C ZINC001205566727 761964089 /nfs/dbraw/zinc/96/40/89/761964089.db2.gz GRESVRYOLVTYKY-LBPRGKRZSA-N 0 0 184.323 3.770 20 0 AHADRN CC1(C)CCC[C@@H](OC2CCCC2)C1 ZINC001205566812 761960942 /nfs/dbraw/zinc/96/09/42/761960942.db2.gz HEOZQJHZHYEWOM-GFCCVEGCSA-N 0 0 196.334 3.914 20 0 AHADRN CC1(C)CCC[C@H](OC2CCCC2)C1 ZINC001205566814 761965397 /nfs/dbraw/zinc/96/53/97/761965397.db2.gz HEOZQJHZHYEWOM-LBPRGKRZSA-N 0 0 196.334 3.914 20 0 AHADRN C1=CCC[C@@H](OC2CCCC2)CCC1 ZINC001205566839 761962105 /nfs/dbraw/zinc/96/21/05/761962105.db2.gz HNWUBJYXFBNSSW-GFCCVEGCSA-N 0 0 194.318 3.835 20 0 AHADRN C1=CCC[C@H](OC2CCCC2)CCC1 ZINC001205566842 761965589 /nfs/dbraw/zinc/96/55/89/761965589.db2.gz HNWUBJYXFBNSSW-LBPRGKRZSA-N 0 0 194.318 3.835 20 0 AHADRN CCCC(CCC)OC1CCCC1 ZINC001205566885 761960555 /nfs/dbraw/zinc/96/05/55/761960555.db2.gz 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CC(C)CC[C@H](C)OC1CCCC1 ZINC001205567938 761974376 /nfs/dbraw/zinc/97/43/76/761974376.db2.gz SZYKRKAPODDYNK-NSHDSACASA-N 0 0 184.323 3.770 20 0 AHADRN C[C@@H]1CC[C@H](OC2CCCC2)C[C@@H]1C ZINC001205567966 761967695 /nfs/dbraw/zinc/96/76/95/761967695.db2.gz UDHJCXNAHXJCAS-MDZLAQPJSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@@H](OC2CCCC2)C[C@H]1C ZINC001205567967 761973194 /nfs/dbraw/zinc/97/31/94/761973194.db2.gz UDHJCXNAHXJCAS-NQBHXWOUSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@@H](OC2CCCC2)C[C@@H]1C ZINC001205567971 761970456 /nfs/dbraw/zinc/97/04/56/761970456.db2.gz UDHJCXNAHXJCAS-NTZNESFSSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CC[C@H](OC2CCCC2)C[C@H]1C ZINC001205567972 761968807 /nfs/dbraw/zinc/96/88/07/761968807.db2.gz UDHJCXNAHXJCAS-WZRBSPASSA-N 0 0 196.334 3.770 20 0 AHADRN CC[C@@H](OC1CCCC1)C(C)(C)C ZINC001205567984 761971603 /nfs/dbraw/zinc/97/16/03/761971603.db2.gz UGOGBDXPLACFSR-LLVKDONJSA-N 0 0 184.323 3.770 20 0 AHADRN CC[C@H](OC1CCCC1)C(C)(C)C ZINC001205567986 761971120 /nfs/dbraw/zinc/97/11/20/761971120.db2.gz UGOGBDXPLACFSR-NSHDSACASA-N 0 0 184.323 3.770 20 0 AHADRN C[C@H](OC1CCCC1)C1CCCC1 ZINC001205568012 761972508 /nfs/dbraw/zinc/97/25/08/761972508.db2.gz URLJHDIGCWJJQK-JTQLQIEISA-N 0 0 182.307 3.524 20 0 AHADRN C[C@@H](OC1CCCC1)C1CCCC1 ZINC001205568013 761968271 /nfs/dbraw/zinc/96/82/71/761968271.db2.gz URLJHDIGCWJJQK-SNVBAGLBSA-N 0 0 182.307 3.524 20 0 AHADRN CC(C)C(OC1CCCC1)C(C)C ZINC001205568115 761972615 /nfs/dbraw/zinc/97/26/15/761972615.db2.gz WHDJBSABVJSIJG-UHFFFAOYSA-N 0 0 184.323 3.626 20 0 AHADRN C[C@H]1CC[C@@H](OC2CCCC2)CC1 ZINC001205568274 761969496 /nfs/dbraw/zinc/96/94/96/761969496.db2.gz YMQBMUKFZXCESS-KLPPZKSPSA-N 0 0 182.307 3.524 20 0 AHADRN C[C@H]1CC[C@H](OC2CCCC2)CC1 ZINC001205568275 761971894 /nfs/dbraw/zinc/97/18/94/761971894.db2.gz YMQBMUKFZXCESS-UMSPYCQHSA-N 0 0 182.307 3.524 20 0 AHADRN CC[C@H]1CC[C@H](OC2CCCC2)CC1 ZINC001205568299 761971371 /nfs/dbraw/zinc/97/13/71/761971371.db2.gz ZAXUBFYVTBGZPQ-AULYBMBSSA-N 0 0 196.334 3.914 20 0 AHADRN CCC1CCC(OC2CCCC2)CC1 ZINC001205568300 761969548 /nfs/dbraw/zinc/96/95/48/761969548.db2.gz ZAXUBFYVTBGZPQ-UHFFFAOYSA-N 0 0 196.334 3.914 20 0 AHADRN C[C@@H]1CCC[C@H](OC2CCCC2)[C@H]1C ZINC001205568325 761968680 /nfs/dbraw/zinc/96/86/80/761968680.db2.gz ZQSWPOKQQYXOSM-MDZLAQPJSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CCC[C@@H](OC2CCCC2)[C@@H]1C ZINC001205568327 761973768 /nfs/dbraw/zinc/97/37/68/761973768.db2.gz ZQSWPOKQQYXOSM-NQBHXWOUSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CCC[C@@H](OC2CCCC2)[C@H]1C ZINC001205568328 761968382 /nfs/dbraw/zinc/96/83/82/761968382.db2.gz ZQSWPOKQQYXOSM-NTZNESFSSA-N 0 0 196.334 3.770 20 0 AHADRN C[C@@H]1CCC[C@H](OC2CCCC2)[C@@H]1C ZINC001205568329 761972689 /nfs/dbraw/zinc/97/26/89/761972689.db2.gz ZQSWPOKQQYXOSM-WZRBSPASSA-N 0 0 196.334 3.770 20 0 AHADRN CCC[C@@H](C)OCC1CCCCC1 ZINC001205572345 761973431 /nfs/dbraw/zinc/97/34/31/761973431.db2.gz GHNAMKOFUMKGKR-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CCC[C@H](C)OCC1CCCCC1 ZINC001205572347 761969203 /nfs/dbraw/zinc/96/92/03/761969203.db2.gz GHNAMKOFUMKGKR-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN C[C@@H](OCC1CCCCC1)C1CCC1 ZINC001205572606 761971491 /nfs/dbraw/zinc/97/14/91/761971491.db2.gz IWEXPUDAGIOSAE-LLVKDONJSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H](OCC1CCCCC1)C1CCC1 ZINC001205572607 761969256 /nfs/dbraw/zinc/96/92/56/761969256.db2.gz IWEXPUDAGIOSAE-NSHDSACASA-N 0 0 196.334 3.772 20 0 AHADRN C1=C[C@@H](OCC2CCCCC2)CCC1 ZINC001205572990 761972298 /nfs/dbraw/zinc/97/22/98/761972298.db2.gz MBMHCCSVWVPMAU-CYBMUJFWSA-N 0 0 194.318 3.692 20 0 AHADRN C1=C[C@H](OCC2CCCCC2)CCC1 ZINC001205572991 761969109 /nfs/dbraw/zinc/96/91/09/761969109.db2.gz MBMHCCSVWVPMAU-ZDUSSCGKSA-N 0 0 194.318 3.692 20 0 AHADRN CCC(CC)OCC1CCCCC1 ZINC001205573025 761974557 /nfs/dbraw/zinc/97/45/57/761974557.db2.gz MUGOAHFRBZEQDI-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN C[C@H]1CC[C@H](OCC2CCCCC2)C1 ZINC001205573028 761973728 /nfs/dbraw/zinc/97/37/28/761973728.db2.gz MWLWVMPWNNWEIP-AAEUAGOBSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CC[C@@H](OCC2CCCCC2)C1 ZINC001205573029 761971396 /nfs/dbraw/zinc/97/13/96/761971396.db2.gz MWLWVMPWNNWEIP-DGCLKSJQSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CC[C@@H](OCC2CCCCC2)C1 ZINC001205573030 761970825 /nfs/dbraw/zinc/97/08/25/761970825.db2.gz MWLWVMPWNNWEIP-WCQYABFASA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CC[C@H](OCC2CCCCC2)C1 ZINC001205573031 761974333 /nfs/dbraw/zinc/97/43/33/761974333.db2.gz MWLWVMPWNNWEIP-YPMHNXCESA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CCC[C@@H]1OCC1CCCCC1 ZINC001205573560 761969441 /nfs/dbraw/zinc/96/94/41/761969441.db2.gz WBASXRMORMZHHY-AAEUAGOBSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CCC[C@H]1OCC1CCCCC1 ZINC001205573561 761971787 /nfs/dbraw/zinc/97/17/87/761971787.db2.gz WBASXRMORMZHHY-WCQYABFASA-N 0 0 196.334 3.772 20 0 AHADRN CC(C)CCCOC1CCCCC1 ZINC001205969688 762027540 /nfs/dbraw/zinc/02/75/40/762027540.db2.gz DLPVUVBSGFRKHH-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN CC(C)CCCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001205969898 762028927 /nfs/dbraw/zinc/02/89/27/762028927.db2.gz FVPZZJYSINUAHJ-YNEHKIRRSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)CCCO[C@H](C)C1CCC1 ZINC001205970364 762029469 /nfs/dbraw/zinc/02/94/69/762029469.db2.gz KKHCJNWDGJYOSU-LLVKDONJSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@@H](C)C1CCC1 ZINC001205970366 762028084 /nfs/dbraw/zinc/02/80/84/762028084.db2.gz KKHCJNWDGJYOSU-NSHDSACASA-N 0 0 184.323 3.628 20 0 AHADRN CCC(CC)OCCCC(C)C ZINC001205970744 762031086 /nfs/dbraw/zinc/03/10/86/762031086.db2.gz NXQWQBIYNPACOH-UHFFFAOYSA-N 0 0 172.312 3.628 20 0 AHADRN CC(C)CCCO[C@H](C)CC(C)C ZINC001205971364 762030032 /nfs/dbraw/zinc/03/00/32/762030032.db2.gz UEEVAQBHJXMITR-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCCO[C@@H](C)CC(C)C ZINC001205971365 762026795 /nfs/dbraw/zinc/02/67/95/762026795.db2.gz UEEVAQBHJXMITR-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCCO[C@@H]1C=CCCC1 ZINC001205971396 762028339 /nfs/dbraw/zinc/02/83/39/762028339.db2.gz UVUDZEUEYHTZFU-GFCCVEGCSA-N 0 0 182.307 3.548 20 0 AHADRN CC(C)CCCO[C@H]1C=CCCC1 ZINC001205971397 762030409 /nfs/dbraw/zinc/03/04/09/762030409.db2.gz UVUDZEUEYHTZFU-LBPRGKRZSA-N 0 0 182.307 3.548 20 0 AHADRN CC[C@@H](C)[C@H](C)OCCCC(C)C ZINC001205971510 762028684 /nfs/dbraw/zinc/02/86/84/762028684.db2.gz VNNJALDPIJCXGQ-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)[C@@H](C)OCCCC(C)C ZINC001205971512 762029107 /nfs/dbraw/zinc/02/91/07/762029107.db2.gz VNNJALDPIJCXGQ-NWDGAFQWSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)[C@H](C)OCCCC(C)C ZINC001205971513 762027584 /nfs/dbraw/zinc/02/75/84/762027584.db2.gz VNNJALDPIJCXGQ-RYUDHWBXSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](C)[C@@H](C)OCCCC(C)C ZINC001205971516 762031019 /nfs/dbraw/zinc/03/10/19/762031019.db2.gz VNNJALDPIJCXGQ-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN CC(C)CCCOC(C1CC1)C1CC1 ZINC001205971678 762029521 /nfs/dbraw/zinc/02/95/21/762029521.db2.gz WPJOAOXJLKNTIA-UHFFFAOYSA-N 0 0 196.334 3.628 20 0 AHADRN CCC[C@@H](C)OCCCC(C)C ZINC001205972069 762030823 /nfs/dbraw/zinc/03/08/23/762030823.db2.gz ZDOKBQRZEDEMEB-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCC[C@H](C)OCCCC(C)C ZINC001205972071 762027680 /nfs/dbraw/zinc/02/76/80/762027680.db2.gz ZDOKBQRZEDEMEB-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CC(C)CCCO[C@H]1CC[C@@H](C)C1 ZINC001205972130 762026731 /nfs/dbraw/zinc/02/67/31/762026731.db2.gz ZPWHUARCXBFECD-NEPJUHHUSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@@H]1CC[C@H](C)C1 ZINC001205972131 762029956 /nfs/dbraw/zinc/02/99/56/762029956.db2.gz ZPWHUARCXBFECD-NWDGAFQWSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@H]1CC[C@H](C)C1 ZINC001205972134 762028596 /nfs/dbraw/zinc/02/85/96/762028596.db2.gz ZPWHUARCXBFECD-RYUDHWBXSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@@H]1CC[C@@H](C)C1 ZINC001205972135 762030073 /nfs/dbraw/zinc/03/00/73/762030073.db2.gz ZPWHUARCXBFECD-VXGBXAGGSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@@H]1CCC[C@@H]1C ZINC001205972165 762027975 /nfs/dbraw/zinc/02/79/75/762027975.db2.gz ZYPFRYKFTBIKDO-NWDGAFQWSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@H]1CCC[C@@H]1C ZINC001205972167 762029448 /nfs/dbraw/zinc/02/94/48/762029448.db2.gz ZYPFRYKFTBIKDO-RYUDHWBXSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CCCO[C@H](C)c1ccco1 ZINC001205976403 762026715 /nfs/dbraw/zinc/02/67/15/762026715.db2.gz AGSBMSMIYZIXFO-LLVKDONJSA-N 0 0 196.290 3.793 20 0 AHADRN CC(C)CCCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001205976682 762030605 /nfs/dbraw/zinc/03/06/05/762030605.db2.gz FVPZZJYSINUAHJ-FRRDWIJNSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@@H](OCCCC(C)C)C(C)C ZINC001205976773 762028728 /nfs/dbraw/zinc/02/87/28/762028728.db2.gz HZBVMXUXSPEPEK-GFCCVEGCSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](OCCCC(C)C)C(C)C ZINC001205976774 762027730 /nfs/dbraw/zinc/02/77/30/762027730.db2.gz HZBVMXUXSPEPEK-LBPRGKRZSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)OC[C@@H](C)c1ccccc1 ZINC001205999689 762031831 /nfs/dbraw/zinc/03/18/31/762031831.db2.gz CREVHGGXXZJREX-NEPJUHHUSA-N 0 0 192.302 3.605 20 0 AHADRN CC[C@@H](C)OC[C@H](C)c1ccccc1 ZINC001205999690 762031458 /nfs/dbraw/zinc/03/14/58/762031458.db2.gz CREVHGGXXZJREX-NWDGAFQWSA-N 0 0 192.302 3.605 20 0 AHADRN CC[C@H](C)OC[C@H](C)c1ccccc1 ZINC001205999691 762034552 /nfs/dbraw/zinc/03/45/52/762034552.db2.gz CREVHGGXXZJREX-RYUDHWBXSA-N 0 0 192.302 3.605 20 0 AHADRN CC[C@@H](C)OC[C@@H](C)c1ccccc1 ZINC001205999692 762035801 /nfs/dbraw/zinc/03/58/01/762035801.db2.gz CREVHGGXXZJREX-VXGBXAGGSA-N 0 0 192.302 3.605 20 0 AHADRN C(CC1CCCCC1)OC1CCCC1 ZINC001206040581 762038132 /nfs/dbraw/zinc/03/81/32/762038132.db2.gz DVLAERZFHYFLSI-UHFFFAOYSA-N 0 0 196.334 3.916 20 0 AHADRN C[C@@H](OCCC1CCCCC1)C1CC1 ZINC001206040634 762036560 /nfs/dbraw/zinc/03/65/60/762036560.db2.gz GZTDXCLBIKTFKD-LLVKDONJSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H](OCCC1CCCCC1)C1CC1 ZINC001206040635 762039001 /nfs/dbraw/zinc/03/90/01/762039001.db2.gz GZTDXCLBIKTFKD-NSHDSACASA-N 0 0 196.334 3.772 20 0 AHADRN C1=C[C@@H](OCCC2CCCCC2)CC1 ZINC001206040820 762039654 /nfs/dbraw/zinc/03/96/54/762039654.db2.gz IDTMMERVBTZRHH-CYBMUJFWSA-N 0 0 194.318 3.692 20 0 AHADRN C1=C[C@H](OCCC2CCCCC2)CC1 ZINC001206040822 762036772 /nfs/dbraw/zinc/03/67/72/762036772.db2.gz IDTMMERVBTZRHH-ZDUSSCGKSA-N 0 0 194.318 3.692 20 0 AHADRN C1=CCC(OCCC2CCCCC2)C1 ZINC001206040971 762039258 /nfs/dbraw/zinc/03/92/58/762039258.db2.gz IUNSPPKTSVPVHR-UHFFFAOYSA-N 0 0 194.318 3.692 20 0 AHADRN C(CC1CCCCC1)OC1CCC1 ZINC001206041754 762040925 /nfs/dbraw/zinc/04/09/25/762040925.db2.gz QVTRLLWANNYTIG-UHFFFAOYSA-N 0 0 182.307 3.526 20 0 AHADRN C[C@H](OCC1CCC1)c1ccccc1 ZINC001206164570 762053161 /nfs/dbraw/zinc/05/31/61/762053161.db2.gz DBRLKSGRBRDRBK-NSHDSACASA-N 0 0 190.286 3.564 20 0 AHADRN C[C@@H](OCC1CCC1)c1cccs1 ZINC001206164785 762051356 /nfs/dbraw/zinc/05/13/56/762051356.db2.gz DIUPDDQBLOVJAC-SECBINFHSA-N 0 0 196.315 3.626 20 0 AHADRN C[C@H](OCC1CCC1)c1cccs1 ZINC001206164786 762052634 /nfs/dbraw/zinc/05/26/34/762052634.db2.gz DIUPDDQBLOVJAC-VIFPVBQESA-N 0 0 196.315 3.626 20 0 AHADRN CCCCC[C@@H](C)OCC1CCC1 ZINC001206165313 762051877 /nfs/dbraw/zinc/05/18/77/762051877.db2.gz HQLSYVHZEXAOQL-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCC[C@H](C)OCC1CCC1 ZINC001206165315 762055055 /nfs/dbraw/zinc/05/50/55/762055055.db2.gz HQLSYVHZEXAOQL-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@@H]1CCCC[C@H]1OCC1CCC1 ZINC001206166222 762059004 /nfs/dbraw/zinc/05/90/04/762059004.db2.gz RNNGBNRLQYKUMD-CHWSQXEVSA-N 0 0 196.334 3.772 20 0 AHADRN CC[C@@H]1CCCC[C@@H]1OCC1CCC1 ZINC001206166223 762057280 /nfs/dbraw/zinc/05/72/80/762057280.db2.gz RNNGBNRLQYKUMD-OLZOCXBDSA-N 0 0 196.334 3.772 20 0 AHADRN CC[C@H]1CCCC[C@H]1OCC1CCC1 ZINC001206166224 762057253 /nfs/dbraw/zinc/05/72/53/762057253.db2.gz RNNGBNRLQYKUMD-QWHCGFSZSA-N 0 0 196.334 3.772 20 0 AHADRN CC[C@H]1CCCC[C@@H]1OCC1CCC1 ZINC001206166225 762059559 /nfs/dbraw/zinc/05/95/59/762059559.db2.gz RNNGBNRLQYKUMD-STQMWFEESA-N 0 0 196.334 3.772 20 0 AHADRN CCCC[C@@H](CC)OCC1CCC1 ZINC001206166234 762057849 /nfs/dbraw/zinc/05/78/49/762057849.db2.gz RSUHMBDVGMNRDJ-GFCCVEGCSA-N 0 0 184.323 3.772 20 0 AHADRN CCCC[C@H](CC)OCC1CCC1 ZINC001206166235 762060544 /nfs/dbraw/zinc/06/05/44/762060544.db2.gz RSUHMBDVGMNRDJ-LBPRGKRZSA-N 0 0 184.323 3.772 20 0 AHADRN CC1(C)CCC(OCC2CCC2)CC1 ZINC001206166652 762057979 /nfs/dbraw/zinc/05/79/79/762057979.db2.gz XDTGDINPWQXFBU-UHFFFAOYSA-N 0 0 196.334 3.772 20 0 AHADRN CC(C)C[C@@H](OCC1CCC1)C(C)C ZINC001206175300 762058877 /nfs/dbraw/zinc/05/88/77/762058877.db2.gz AHKASXYTEKBYLV-CYBMUJFWSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)C[C@H](OCC1CCC1)C(C)C ZINC001206175301 762057692 /nfs/dbraw/zinc/05/76/92/762057692.db2.gz AHKASXYTEKBYLV-ZDUSSCGKSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@@H]1CCC[C@H](OCC2CCC2)[C@H]1C ZINC001206175450 762059255 /nfs/dbraw/zinc/05/92/55/762059255.db2.gz CFUGPIPKYUNGOG-MDZLAQPJSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC2CCC2)[C@@H]1C ZINC001206175451 762056993 /nfs/dbraw/zinc/05/69/93/762056993.db2.gz CFUGPIPKYUNGOG-NQBHXWOUSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC2CCC2)[C@H]1C ZINC001206175452 762058091 /nfs/dbraw/zinc/05/80/91/762058091.db2.gz CFUGPIPKYUNGOG-NTZNESFSSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CCC[C@H](OCC2CCC2)[C@@H]1C ZINC001206175455 762058428 /nfs/dbraw/zinc/05/84/28/762058428.db2.gz CFUGPIPKYUNGOG-WZRBSPASSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@H](OCC2CCC2)C[C@@H]1C ZINC001206175794 762057837 /nfs/dbraw/zinc/05/78/37/762057837.db2.gz DBWQAPQJNNGDMR-MDZLAQPJSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@@H](OCC2CCC2)C[C@H]1C ZINC001206175796 762059760 /nfs/dbraw/zinc/05/97/60/762059760.db2.gz DBWQAPQJNNGDMR-NQBHXWOUSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@@H](OCC2CCC2)C[C@@H]1C ZINC001206175798 762059871 /nfs/dbraw/zinc/05/98/71/762059871.db2.gz DBWQAPQJNNGDMR-NTZNESFSSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@H](OCC2CCC2)C[C@H]1C ZINC001206175800 762059317 /nfs/dbraw/zinc/05/93/17/762059317.db2.gz DBWQAPQJNNGDMR-WZRBSPASSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)CC[C@@H](C)OCC1CCC1 ZINC001206175971 762056975 /nfs/dbraw/zinc/05/69/75/762056975.db2.gz GRTLAYAIVXZYEU-LLVKDONJSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)CC[C@H](C)OCC1CCC1 ZINC001206175972 762058080 /nfs/dbraw/zinc/05/80/80/762058080.db2.gz GRTLAYAIVXZYEU-NSHDSACASA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)=CCC[C@@H](C)OCC1CCC1 ZINC001206176018 762057909 /nfs/dbraw/zinc/05/79/09/762057909.db2.gz HBOMZNSTGLJGKZ-GFCCVEGCSA-N 0 0 196.334 3.938 20 0 AHADRN CC(C)=CCC[C@H](C)OCC1CCC1 ZINC001206176019 762060642 /nfs/dbraw/zinc/06/06/42/762060642.db2.gz HBOMZNSTGLJGKZ-LBPRGKRZSA-N 0 0 196.334 3.938 20 0 AHADRN CCC[C@@H](OCC1CCC1)C(C)C ZINC001206176442 762057338 /nfs/dbraw/zinc/05/73/38/762057338.db2.gz JICLFVZSLNCJQS-GFCCVEGCSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@H](OCC1CCC1)C(C)C ZINC001206176443 762059024 /nfs/dbraw/zinc/05/90/24/762059024.db2.gz JICLFVZSLNCJQS-LBPRGKRZSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](OCC1CCC1)C(C)(C)C ZINC001206176822 762060044 /nfs/dbraw/zinc/06/00/44/762060044.db2.gz LFSRLVSPLDEUME-LLVKDONJSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](OCC1CCC1)C(C)(C)C ZINC001206176823 762058444 /nfs/dbraw/zinc/05/84/44/762058444.db2.gz LFSRLVSPLDEUME-NSHDSACASA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H]1CCC[C@@H](C)C1OCC1CCC1 ZINC001206176840 762057789 /nfs/dbraw/zinc/05/77/89/762057789.db2.gz LSVMOCOKSAJQKW-GHMZBOCLSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CCC[C@H](C)[C@H]1OCC1CCC1 ZINC001206176841 762060515 /nfs/dbraw/zinc/06/05/15/762060515.db2.gz LSVMOCOKSAJQKW-PJXYFTJBSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@H]1CCC[C@H](C)C1OCC1CCC1 ZINC001206176842 762059590 /nfs/dbraw/zinc/05/95/90/762059590.db2.gz LSVMOCOKSAJQKW-QWRGUYRKSA-N 0 0 196.334 3.628 20 0 AHADRN C(OC1CCCCCCC1)C1CCC1 ZINC001206176906 762057486 /nfs/dbraw/zinc/05/74/86/762057486.db2.gz NKTDJCMIHHVTDK-UHFFFAOYSA-N 0 0 196.334 3.916 20 0 AHADRN C[C@H]1CC(OCC2CCC2)C[C@H](C)C1 ZINC001206177205 762057774 /nfs/dbraw/zinc/05/77/74/762057774.db2.gz NSAXLAWEHVGIFU-GHMZBOCLSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@H]1C[C@H](OCC2CCC2)C[C@@H](C)C1 ZINC001206177206 762056722 /nfs/dbraw/zinc/05/67/22/762056722.db2.gz NSAXLAWEHVGIFU-PJXYFTJBSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC(OCC2CCC2)C[C@@H](C)C1 ZINC001206177207 762059608 /nfs/dbraw/zinc/05/96/08/762059608.db2.gz NSAXLAWEHVGIFU-QWRGUYRKSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@@H](OCC2CCC2)C1 ZINC001206177214 762059303 /nfs/dbraw/zinc/05/93/03/762059303.db2.gz OAJSYZYUSJKRHI-MDZLAQPJSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@H](OCC2CCC2)C1 ZINC001206177215 762056936 /nfs/dbraw/zinc/05/69/36/762056936.db2.gz OAJSYZYUSJKRHI-NQBHXWOUSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@H](C)[C@H](OCC2CCC2)C1 ZINC001206177216 762058102 /nfs/dbraw/zinc/05/81/02/762058102.db2.gz OAJSYZYUSJKRHI-NTZNESFSSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H]1CC[C@@H](C)[C@@H](OCC2CCC2)C1 ZINC001206177217 762060217 /nfs/dbraw/zinc/06/02/17/762060217.db2.gz OAJSYZYUSJKRHI-WZRBSPASSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@H]1CC[C@H](OCC2CCC2)CC1 ZINC001206177532 762057644 /nfs/dbraw/zinc/05/76/44/762057644.db2.gz RCKIRJUZFJOKSN-AULYBMBSSA-N 0 0 196.334 3.772 20 0 AHADRN CCC1CCC(OCC2CCC2)CC1 ZINC001206177533 762058902 /nfs/dbraw/zinc/05/89/02/762058902.db2.gz RCKIRJUZFJOKSN-UHFFFAOYSA-N 0 0 196.334 3.772 20 0 AHADRN C1=CCC[C@@H](OCC2CCC2)CCC1 ZINC001206177602 762058790 /nfs/dbraw/zinc/05/87/90/762058790.db2.gz TYPPUVPMISXTRC-CYBMUJFWSA-N 0 0 194.318 3.692 20 0 AHADRN C1=CCC[C@H](OCC2CCC2)CCC1 ZINC001206177603 762057584 /nfs/dbraw/zinc/05/75/84/762057584.db2.gz TYPPUVPMISXTRC-ZDUSSCGKSA-N 0 0 194.318 3.692 20 0 AHADRN CCCC/C=C/[C@@H](C)OCC1CCC1 ZINC001206177799 762057940 /nfs/dbraw/zinc/05/79/40/762057940.db2.gz WPOOGDHLHSQCQC-WAFBPQNNSA-N 0 0 196.334 3.938 20 0 AHADRN CCCC/C=C/[C@H](C)OCC1CCC1 ZINC001206177800 762059095 /nfs/dbraw/zinc/05/90/95/762059095.db2.gz WPOOGDHLHSQCQC-WMADIVHISA-N 0 0 196.334 3.938 20 0 AHADRN CCCC(CCC)OCC1CCC1 ZINC001206178037 762058919 /nfs/dbraw/zinc/05/89/19/762058919.db2.gz XXZJILAGOBOSOD-UHFFFAOYSA-N 0 0 184.323 3.772 20 0 AHADRN CC1(C)CCC[C@@H](OCC2CCC2)C1 ZINC001206178067 762057170 /nfs/dbraw/zinc/05/71/70/762057170.db2.gz YTATUHVJCJLGTR-GFCCVEGCSA-N 0 0 196.334 3.772 20 0 AHADRN CC1(C)CCC[C@H](OCC2CCC2)C1 ZINC001206178068 762060018 /nfs/dbraw/zinc/06/00/18/762060018.db2.gz YTATUHVJCJLGTR-LBPRGKRZSA-N 0 0 196.334 3.772 20 0 AHADRN C(OC1CCCCCC1)C1CCC1 ZINC001206178096 762063120 /nfs/dbraw/zinc/06/31/20/762063120.db2.gz ZRHYBOYUQPGJKC-UHFFFAOYSA-N 0 0 182.307 3.526 20 0 AHADRN CC/C=C(\C)[C@H](CC)OCC1CCC1 ZINC001206190158 762064400 /nfs/dbraw/zinc/06/44/00/762064400.db2.gz OSPQEAHDRNNZIG-HJTPGIPUSA-N 0 0 196.334 3.938 20 0 AHADRN CC/C=C(\C)[C@@H](CC)OCC1CCC1 ZINC001206190159 762062212 /nfs/dbraw/zinc/06/22/12/762062212.db2.gz OSPQEAHDRNNZIG-SVTZGKHISA-N 0 0 196.334 3.938 20 0 AHADRN C=Cc1cccc(Nc2ccco2)c1 ZINC001209917745 762324095 /nfs/dbraw/zinc/32/40/95/762324095.db2.gz HYYOMJZICGMYFC-UHFFFAOYSA-N 0 0 185.226 3.666 20 0 AHADRN C=Cc1ccccc1Nc1ccco1 ZINC001209943627 762325249 /nfs/dbraw/zinc/32/52/49/762325249.db2.gz LRPDFGYVJIKAKC-UHFFFAOYSA-N 0 0 185.226 3.666 20 0 AHADRN CCCCC[C@@H](C)OCCCCF ZINC001209967276 762325486 /nfs/dbraw/zinc/32/54/86/762325486.db2.gz BTIKLRJQPVSFGX-LLVKDONJSA-N 0 0 190.302 3.722 20 0 AHADRN CCCCC[C@H](C)OCCCCF ZINC001209967288 762324485 /nfs/dbraw/zinc/32/44/85/762324485.db2.gz BTIKLRJQPVSFGX-NSHDSACASA-N 0 0 190.302 3.722 20 0 AHADRN CCCC[C@@H](CC)OCCCCF ZINC001209967678 762329160 /nfs/dbraw/zinc/32/91/60/762329160.db2.gz FUOKGMQSPSGBAE-LLVKDONJSA-N 0 0 190.302 3.722 20 0 AHADRN CCCC[C@H](CC)OCCCCF ZINC001209967680 762328456 /nfs/dbraw/zinc/32/84/56/762328456.db2.gz FUOKGMQSPSGBAE-NSHDSACASA-N 0 0 190.302 3.722 20 0 AHADRN C[C@H](OCCCCF)c1ccccc1 ZINC001209969061 762329743 /nfs/dbraw/zinc/32/97/43/762329743.db2.gz NYTHROAMIDHKKC-NSHDSACASA-N 0 0 196.265 3.514 20 0 AHADRN CC[C@H](OCCCCF)C(C)(C)C ZINC001209987056 762329921 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CCCCC=Nc1cc(C(C)C)no1 ZINC001210056849 762332335 /nfs/dbraw/zinc/33/23/35/762332335.db2.gz DRXJBLYVKWVFGC-VOTSOKGWSA-N 0 0 194.278 3.524 20 0 AHADRN CCCC=CNc1cc(C)cs1 ZINC001210057198 762333854 /nfs/dbraw/zinc/33/38/54/762333854.db2.gz BZAOZPOQOTZCGM-AATRIKPKSA-N 0 0 181.304 3.782 20 0 AHADRN CCCC=CNc1cccc(F)c1 ZINC001210058906 762330905 /nfs/dbraw/zinc/33/09/05/762330905.db2.gz ABXBYZDDQDCGQA-XBXARRHUSA-N 0 0 179.238 3.551 20 0 AHADRN CCCC=CNc1ccccc1C ZINC001210059517 762332258 /nfs/dbraw/zinc/33/22/58/762332258.db2.gz KRQGIIZFUBIFEY-JXMROGBWSA-N 0 0 175.275 3.721 20 0 AHADRN CCCC=CNc1ccccc1F ZINC001210059935 762332892 /nfs/dbraw/zinc/33/28/92/762332892.db2.gz QERFASVIYYEQFM-RMKNXTFCSA-N 0 0 179.238 3.551 20 0 AHADRN CCCC=CNc1cccc(C)c1 ZINC001210060022 762332523 /nfs/dbraw/zinc/33/25/23/762332523.db2.gz RKAROAMKSRKINN-WEVVVXLNSA-N 0 0 175.275 3.721 20 0 AHADRN CCCC=CNc1ccc(F)cc1 ZINC001210060124 762331133 /nfs/dbraw/zinc/33/11/33/762331133.db2.gz TXSYKUYQWJZOIV-RUDMXATFSA-N 0 0 179.238 3.551 20 0 AHADRN CCCC=CNc1ccc(C)cc1 ZINC001210060137 762331457 /nfs/dbraw/zinc/33/14/57/762331457.db2.gz UMFHHAXFUFVYTK-BJMVGYQFSA-N 0 0 175.275 3.721 20 0 AHADRN CC1(C)CCC(=Nc2ccco2)CC1 ZINC001210165607 762335198 /nfs/dbraw/zinc/33/51/98/762335198.db2.gz GVMOPJQCENWQEK-UHFFFAOYSA-N 0 0 191.274 3.786 20 0 AHADRN CC1(C)CC=C(Nc2ccoc2)CC1 ZINC001210166368 762334406 /nfs/dbraw/zinc/33/44/06/762334406.db2.gz UHFRNFONBIJKIY-UHFFFAOYSA-N 0 0 191.274 3.786 20 0 AHADRN c1cc2cccc(Nc3ccoc3)c2[nH]1 ZINC001210212067 762335577 /nfs/dbraw/zinc/33/55/77/762335577.db2.gz VXKGEHCTCSWPRF-UHFFFAOYSA-N 0 0 198.225 3.505 20 0 AHADRN c1coc(Nc2cccc3cc[nH]c32)c1 ZINC001210212096 762336811 /nfs/dbraw/zinc/33/68/11/762336811.db2.gz XDVKIFNREDEFQS-UHFFFAOYSA-N 0 0 198.225 3.505 20 0 AHADRN Cc1cc(Nc2cccs2)c(C)o1 ZINC001210277654 762335501 /nfs/dbraw/zinc/33/55/01/762335501.db2.gz BDVMAAQUILZSSR-UHFFFAOYSA-N 0 0 193.271 3.702 20 0 AHADRN Cc1cc(Nc2ccsc2)c(C)o1 ZINC001210278913 762336820 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CC=C(C)Nc1csc(Cl)c1 ZINC001210792572 762345475 /nfs/dbraw/zinc/34/54/75/762345475.db2.gz LZQFDJJXLZTDGZ-ZZXKWVIFSA-N 0 0 187.695 3.737 20 0 AHADRN CC=C(C)Nc1cccc(C(C)C)n1 ZINC001210792637 762349124 /nfs/dbraw/zinc/34/91/24/762349124.db2.gz OMAMWJJSZDQBCO-BJMVGYQFSA-N 0 0 190.290 3.541 20 0 AHADRN CC=C(C)Nc1ccc(C(C)C)nc1 ZINC001210792904 762349715 /nfs/dbraw/zinc/34/97/15/762349715.db2.gz RAMOLJNBRXZLPF-BJMVGYQFSA-N 0 0 190.290 3.541 20 0 AHADRN CCC(C)=Nc1nccc2ccccc21 ZINC001210793345 762348909 /nfs/dbraw/zinc/34/89/09/762348909.db2.gz YAKIQSKOEGVUPQ-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccc2ccccc2n1 ZINC001210793346 762349811 /nfs/dbraw/zinc/34/98/11/762349811.db2.gz YDROGWCKLIUJAD-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CCC(C)=Nc1ccc(Cl)s1 ZINC001210793354 762351527 /nfs/dbraw/zinc/35/15/27/762351527.db2.gz NUVBKSNXPJHWPP-ZZXKWVIFSA-N 0 0 187.695 3.737 20 0 AHADRN CCC(C)=Nc1cc(Cl)cs1 ZINC001210793381 762350670 /nfs/dbraw/zinc/35/06/70/762350670.db2.gz NZBRMXWCEPXVQU-ZZXKWVIFSA-N 0 0 187.695 3.737 20 0 AHADRN CC=C(C)Nc1cncc(C(C)C)c1 ZINC001210793689 762351439 /nfs/dbraw/zinc/35/14/39/762351439.db2.gz ZHVHFRRRSNOEPG-BJMVGYQFSA-N 0 0 190.290 3.541 20 0 AHADRN CC=C(C)Nc1cccc(C)c1C ZINC001210794003 762350213 /nfs/dbraw/zinc/35/02/13/762350213.db2.gz AAJDUMNHXWQXHH-BJMVGYQFSA-N 0 0 175.275 3.639 20 0 AHADRN CC=C(C)Nc1cccc2c1CCC2 ZINC001210794058 762349701 /nfs/dbraw/zinc/34/97/01/762349701.db2.gz BAEFXIBUPHEZJN-XCVCLJGOSA-N 0 0 187.286 3.511 20 0 AHADRN CC=C(C)Nc1cc(C)cc(C)c1 ZINC001210794096 762352365 /nfs/dbraw/zinc/35/23/65/762352365.db2.gz BMMPHLJSFQYHTG-VZUCSPMQSA-N 0 0 175.275 3.639 20 0 AHADRN CC=C(C)Nc1cccc2cccnc21 ZINC001210794190 762349304 /nfs/dbraw/zinc/34/93/04/762349304.db2.gz DLYYDMGVEUNLOA-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccc(CC)cc1 ZINC001210794222 762348814 /nfs/dbraw/zinc/34/88/14/762348814.db2.gz FFYQFDXQTALCLT-ONNFQVAWSA-N 0 0 175.275 3.585 20 0 AHADRN CC=C(C)Nc1cc(Cl)ccc1F ZINC001210794227 762351740 /nfs/dbraw/zinc/35/17/40/762351740.db2.gz FLANRDSXZFONNV-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccc(C)cc1C ZINC001210794245 762349349 /nfs/dbraw/zinc/34/93/49/762349349.db2.gz FSSBZYUZHFCMOD-VZUCSPMQSA-N 0 0 175.275 3.639 20 0 AHADRN CC=C(C)Nc1ccc2c(c1)CCC2 ZINC001210794360 762355335 /nfs/dbraw/zinc/35/53/35/762355335.db2.gz HEYRNYGXHYYANO-XCVCLJGOSA-N 0 0 187.286 3.511 20 0 AHADRN CC=C(C)Nc1ccc2cnccc2c1 ZINC001210794361 762353103 /nfs/dbraw/zinc/35/31/03/762353103.db2.gz HFIYTZYHWDKPHG-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CCC(C)=Nc1scnc1C(C)C ZINC001210794366 762353230 /nfs/dbraw/zinc/35/32/30/762353230.db2.gz HJTOWLRBSUOOHL-VMPITWQZSA-N 0 0 196.319 3.602 20 0 AHADRN CC=C(C)Nc1cccc(F)c1Cl ZINC001210794387 762356231 /nfs/dbraw/zinc/35/62/31/762356231.db2.gz HMISYULTJSCYEB-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1cccc(C(F)F)c1 ZINC001210794394 762356469 /nfs/dbraw/zinc/35/64/69/762356469.db2.gz HUWKIGUZSONNKE-FPYGCLRLSA-N 0 0 197.228 3.960 20 0 AHADRN CC=C(C)Nc1ccc2ncccc2c1 ZINC001210794415 762356061 /nfs/dbraw/zinc/35/60/61/762356061.db2.gz IBFPRTUTXBPGER-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccc2cccnc2c1 ZINC001210794426 762354167 /nfs/dbraw/zinc/35/41/67/762354167.db2.gz IJPKNPMZGTZHMY-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccccc1SC ZINC001210794427 762356162 /nfs/dbraw/zinc/35/61/62/762356162.db2.gz ILBLFLUVFYGFCN-RUDMXATFSA-N 0 0 193.315 3.744 20 0 AHADRN CC=C(C)Nc1cccc(Cl)c1 ZINC001210794440 762355577 /nfs/dbraw/zinc/35/55/77/762355577.db2.gz IZOZXZNNTFRVHQ-FPYGCLRLSA-N 0 0 181.666 3.676 20 0 AHADRN CC=C(C)Nc1cccc(CC)c1 ZINC001210794475 762354868 /nfs/dbraw/zinc/35/48/68/762354868.db2.gz JNUCLWLIHJHBMM-ONNFQVAWSA-N 0 0 175.275 3.585 20 0 AHADRN CC=C(C)Nc1cccc(Cl)c1F ZINC001210794613 762352978 /nfs/dbraw/zinc/35/29/78/762352978.db2.gz KXWAKRJCYCVYEK-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccccc1Cl ZINC001210794615 762355202 /nfs/dbraw/zinc/35/52/02/762355202.db2.gz KZMWAMZACYLQKA-FPYGCLRLSA-N 0 0 181.666 3.676 20 0 AHADRN CC=C(C)Nc1cccc2cnccc21 ZINC001210794659 762355854 /nfs/dbraw/zinc/35/58/54/762355854.db2.gz LTEPMYPUJRSYRP-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccc(F)c(Cl)c1 ZINC001210794669 762353414 /nfs/dbraw/zinc/35/34/14/762353414.db2.gz MBQNNHVLKJSVPS-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1cccc2ccncc21 ZINC001210794739 762354762 /nfs/dbraw/zinc/35/47/62/762354762.db2.gz NPYWMCUBYLOULM-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1ccc(Cl)c(F)c1 ZINC001210794806 762354299 /nfs/dbraw/zinc/35/42/99/762354299.db2.gz ONJISHQYTCVAEQ-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ncccc1C(C)C ZINC001210794821 762356264 /nfs/dbraw/zinc/35/62/64/762356264.db2.gz OQZXGOSUYUEONU-BJMVGYQFSA-N 0 0 190.290 3.541 20 0 AHADRN CC=C(C)Nc1cccc2ncccc21 ZINC001210794832 762356105 /nfs/dbraw/zinc/35/61/05/762356105.db2.gz OTWIMYSIQLHDFY-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1cccc(SC)c1 ZINC001210794837 762353346 /nfs/dbraw/zinc/35/33/46/762353346.db2.gz OWVRCCXWCADDNC-RUDMXATFSA-N 0 0 193.315 3.744 20 0 AHADRN CC=C(C)Nc1cc(F)cc(Cl)c1 ZINC001210795005 762354073 /nfs/dbraw/zinc/35/40/73/762354073.db2.gz PGVATLDKIVGYAU-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccc(F)cc1Cl ZINC001210795051 762355550 /nfs/dbraw/zinc/35/55/50/762355550.db2.gz QZRJYKXUWXPKLJ-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccc(C)c(F)c1F ZINC001210795120 762352932 /nfs/dbraw/zinc/35/29/32/762352932.db2.gz SDYWWEKYKGYVKM-XBXARRHUSA-N 0 0 197.228 3.609 20 0 AHADRN CC=C(C)Nc1cc(C)ccc1C ZINC001210795124 762354436 /nfs/dbraw/zinc/35/44/36/762354436.db2.gz RZCYTZFFPOUNGN-VZUCSPMQSA-N 0 0 175.275 3.639 20 0 AHADRN CCC(C)=Nc1c(F)cccc1Cl ZINC001210795149 762353242 /nfs/dbraw/zinc/35/32/42/762353242.db2.gz TUJQGLNNCGRUKD-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN C=Cc1ccc(NC(C)=CC)cc1 ZINC001210795183 762356323 /nfs/dbraw/zinc/35/63/23/762356323.db2.gz UIEKSGNQSXHZRM-ONNFQVAWSA-N 0 0 173.259 3.665 20 0 AHADRN CC=C(C)Nc1cc(F)c(F)cc1C ZINC001210795195 762353387 /nfs/dbraw/zinc/35/33/87/762353387.db2.gz TZYNQVAZKVPYDZ-XBXARRHUSA-N 0 0 197.228 3.609 20 0 AHADRN CC=C(C)Nc1ccc(Cl)cc1F ZINC001210795389 762354873 /nfs/dbraw/zinc/35/48/73/762354873.db2.gz VSWLQTZIVTYCEP-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccc2ccncc2c1 ZINC001210795409 762353196 /nfs/dbraw/zinc/35/31/96/762353196.db2.gz WEBBNPCUIGFETL-XCVCLJGOSA-N 0 0 198.269 3.570 20 0 AHADRN CC=C(C)Nc1cc(F)ccc1Cl ZINC001210795426 762353814 /nfs/dbraw/zinc/35/38/14/762353814.db2.gz WKCQIYOYCYGLHM-XVNBXDOJSA-N 0 0 199.656 3.815 20 0 AHADRN CC=C(C)Nc1ccccc1C1CC1 ZINC001210795437 762355218 /nfs/dbraw/zinc/35/52/18/762355218.db2.gz WVVPVQHQVKKUCX-XCVCLJGOSA-N 0 0 187.286 3.900 20 0 AHADRN CC=C(C)Nc1ccccc1C(F)F ZINC001210795443 762356124 /nfs/dbraw/zinc/35/61/24/762356124.db2.gz XAPXOHJBFIJEDM-FPYGCLRLSA-N 0 0 197.228 3.960 20 0 AHADRN CC=C(C)Nc1ccc(SC)cc1 ZINC001210795532 762354140 /nfs/dbraw/zinc/35/41/40/762354140.db2.gz XYWINGUJTNVDCJ-RUDMXATFSA-N 0 0 193.315 3.744 20 0 AHADRN CC=C(C)Nc1ccc(Cl)cc1 ZINC001210795639 762355314 /nfs/dbraw/zinc/35/53/14/762355314.db2.gz ZVUVNLMSZYXARU-FPYGCLRLSA-N 0 0 181.666 3.676 20 0 AHADRN CC=C(C)Nc1ccc(C)c(C)c1 ZINC001210795654 762356285 /nfs/dbraw/zinc/35/62/85/762356285.db2.gz ZWSBVJWILVEURV-VZUCSPMQSA-N 0 0 175.275 3.639 20 0 AHADRN CC=C(C)Nc1ccc(C2CC2)cc1 ZINC001210795788 762355694 /nfs/dbraw/zinc/35/56/94/762355694.db2.gz IROYREYMIRWZBE-XCVCLJGOSA-N 0 0 187.286 3.900 20 0 AHADRN CC=C(C)Nc1ccc(F)c(C)c1F ZINC001210796212 762354309 /nfs/dbraw/zinc/35/43/09/762354309.db2.gz MIJXPYCPCWAGMY-QPJJXVBHSA-N 0 0 197.228 3.609 20 0 AHADRN CC=C(C)Nc1cc(F)c(C)c(F)c1 ZINC001210796232 762355777 /nfs/dbraw/zinc/35/57/77/762355777.db2.gz NFGVJGOCYFUCLR-QPJJXVBHSA-N 0 0 197.228 3.609 20 0 AHADRN CC=C(C)Nc1ccc2occc2c1 ZINC001210796318 762354157 /nfs/dbraw/zinc/35/41/57/762354157.db2.gz POPFYUWHYRFBNG-YCRREMRBSA-N 0 0 187.242 3.768 20 0 AHADRN CC=C(C)Nc1cc(F)c(C)cc1F ZINC001210796574 762353667 /nfs/dbraw/zinc/35/36/67/762353667.db2.gz RNJJQPCRZBXWMB-XBXARRHUSA-N 0 0 197.228 3.609 20 0 AHADRN C=Cc1cccc(NC(C)=CC)c1 ZINC001210796577 762354567 /nfs/dbraw/zinc/35/45/67/762354567.db2.gz RUMHHASPBVQIGV-ONNFQVAWSA-N 0 0 173.259 3.665 20 0 AHADRN C=Cc1ccccc1NC(C)=CC ZINC001210796583 762353456 /nfs/dbraw/zinc/35/34/56/762353456.db2.gz SGMFHMWDVJXMEK-ONNFQVAWSA-N 0 0 173.259 3.665 20 0 AHADRN CC=C(C)Nc1cccc(C2CC2)c1 ZINC001210796861 762352921 /nfs/dbraw/zinc/35/29/21/762352921.db2.gz WXAKYVFQMCVDGL-XCVCLJGOSA-N 0 0 187.286 3.900 20 0 AHADRN CC=C(C)Nc1cccc2ccoc21 ZINC001210796864 762355636 /nfs/dbraw/zinc/35/56/36/762355636.db2.gz XBJQSUPDYJGBRV-YCRREMRBSA-N 0 0 187.242 3.768 20 0 AHADRN CC=C(C)Nc1ccccc1CC ZINC001210797005 762354386 /nfs/dbraw/zinc/35/43/86/762354386.db2.gz ZVSKANKCUYKZHM-ONNFQVAWSA-N 0 0 175.275 3.585 20 0 AHADRN CC=C(C)Nc1cc(C)c(F)c(F)c1 ZINC001210797612 762354787 /nfs/dbraw/zinc/35/47/87/762354787.db2.gz LBHBHKBWRGTIFJ-XBXARRHUSA-N 0 0 197.228 3.609 20 0 AHADRN CC=C(C)Nc1cccc2occc21 ZINC001210798068 762354826 /nfs/dbraw/zinc/35/48/26/762354826.db2.gz QXTJTAGSEXHKOH-YCRREMRBSA-N 0 0 187.242 3.768 20 0 AHADRN CC=C(C)Nc1ccc2c(c1)N=NC2 ZINC001210798838 762354576 /nfs/dbraw/zinc/35/45/76/762354576.db2.gz ZWGJDVQQNBAEQD-FPYGCLRLSA-N 0 0 187.246 3.620 20 0 AHADRN Cc1csc(Nc2ccoc2C)c1 ZINC001211237822 762363919 /nfs/dbraw/zinc/36/39/19/762363919.db2.gz SBCGFRHRUVDUTA-UHFFFAOYSA-N 0 0 193.271 3.702 20 0 AHADRN Cc1occc1Nc1cccc(C)c1 ZINC001211238811 762363851 /nfs/dbraw/zinc/36/38/51/762363851.db2.gz JKNIZDIXJRUQDV-UHFFFAOYSA-N 0 0 187.242 3.640 20 0 AHADRN C=Cc1ccc(Nc2ccoc2C)cc1 ZINC001211239000 762361315 /nfs/dbraw/zinc/36/13/15/762361315.db2.gz BTRCBKKXXXSAPA-UHFFFAOYSA-N 0 0 199.253 3.975 20 0 AHADRN Cc1occc1Nc1ccccc1C ZINC001211239246 762360990 /nfs/dbraw/zinc/36/09/90/762360990.db2.gz SASATGRGFNKKDO-UHFFFAOYSA-N 0 0 187.242 3.640 20 0 AHADRN Cc1occc1Nc1ccc(C)cc1 ZINC001211240174 762363767 /nfs/dbraw/zinc/36/37/67/762363767.db2.gz RUBNGBIXWWDQOS-UHFFFAOYSA-N 0 0 187.242 3.640 20 0 AHADRN C=Cc1cccc(Nc2ccoc2C)c1 ZINC001211242787 762362791 /nfs/dbraw/zinc/36/27/91/762362791.db2.gz JEGDPDBXKVFFKQ-UHFFFAOYSA-N 0 0 199.253 3.975 20 0 AHADRN C=Cc1ccccc1Nc1ccoc1C ZINC001211243722 762360949 /nfs/dbraw/zinc/36/09/49/762360949.db2.gz SFHGALQJDYUQDY-UHFFFAOYSA-N 0 0 199.253 3.975 20 0 AHADRN c1cc(Nc2cc3ccccc3[nH]2)co1 ZINC001211307620 762367679 /nfs/dbraw/zinc/36/76/79/762367679.db2.gz DIOONBIELWFWPE-UHFFFAOYSA-N 0 0 198.225 3.505 20 0 AHADRN c1coc(Nc2cc3ccccc3[nH]2)c1 ZINC001211307657 762367671 /nfs/dbraw/zinc/36/76/71/762367671.db2.gz DVSOXGFTFJBKCM-UHFFFAOYSA-N 0 0 198.225 3.505 20 0 AHADRN CO[C@H](C)c1cc2ccccc2s1 ZINC001222699057 764083140 /nfs/dbraw/zinc/08/31/40/764083140.db2.gz FCUHXVIIODUWDR-MRVPVSSYSA-N 0 0 192.283 3.609 20 0 AHADRN CO[C@@H](C)c1cc2ccccc2s1 ZINC001222699061 764084119 /nfs/dbraw/zinc/08/41/19/764084119.db2.gz FCUHXVIIODUWDR-QMMMGPOBSA-N 0 0 192.283 3.609 20 0 AHADRN CCCC[C@@H](OC)[C@H](C)CCC ZINC001222700067 764083827 /nfs/dbraw/zinc/08/38/27/764083827.db2.gz CGGCIJXVDWZRTA-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](OC)[C@H](C)CCC ZINC001222700069 764083393 /nfs/dbraw/zinc/08/33/93/764083393.db2.gz CGGCIJXVDWZRTA-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](OC)[C@@H](C)CCC ZINC001222700072 764086535 /nfs/dbraw/zinc/08/65/35/764086535.db2.gz CGGCIJXVDWZRTA-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@@H](OC)[C@@H](C)CCC ZINC001222700073 764084264 /nfs/dbraw/zinc/08/42/64/764084264.db2.gz CGGCIJXVDWZRTA-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCC[C@H]1CC[C@H](OC)CC1 ZINC001222700180 764083424 /nfs/dbraw/zinc/08/34/24/764083424.db2.gz GGODLYDZCNWQOK-HAQNSBGRSA-N 0 0 184.323 3.772 20 0 AHADRN CCCC[C@@H](CC)[C@@H](CC)OC ZINC001222701039 764086206 /nfs/dbraw/zinc/08/62/06/764086206.db2.gz IGDRVTBTOYZFQM-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@@H](CC)[C@H](CC)OC ZINC001222701040 764086331 /nfs/dbraw/zinc/08/63/31/764086331.db2.gz IGDRVTBTOYZFQM-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](CC)[C@H](CC)OC ZINC001222701041 764084562 /nfs/dbraw/zinc/08/45/62/764084562.db2.gz IGDRVTBTOYZFQM-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](CC)[C@@H](CC)OC ZINC001222701042 764083307 /nfs/dbraw/zinc/08/33/07/764083307.db2.gz IGDRVTBTOYZFQM-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@@H](CC)C[C@@H](C)OC ZINC001222701316 764090420 /nfs/dbraw/zinc/09/04/20/764090420.db2.gz NTYQGFXRNAMMTB-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](CC)C[C@@H](C)OC ZINC001222701317 764087922 /nfs/dbraw/zinc/08/79/22/764087922.db2.gz NTYQGFXRNAMMTB-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@H](CC)C[C@H](C)OC ZINC001222701318 764091328 /nfs/dbraw/zinc/09/13/28/764091328.db2.gz NTYQGFXRNAMMTB-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCCC[C@@H](CC)C[C@H](C)OC ZINC001222701319 764089528 /nfs/dbraw/zinc/08/95/28/764089528.db2.gz NTYQGFXRNAMMTB-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CC[C@@H](C)[C@@H](C)OCC1CCCC1 ZINC001222707312 764090385 /nfs/dbraw/zinc/09/03/85/764090385.db2.gz DGKWAJMEEWBWJS-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)[C@H](C)OCC1CCCC1 ZINC001222707314 764088040 /nfs/dbraw/zinc/08/80/40/764088040.db2.gz DGKWAJMEEWBWJS-MNOVXSKESA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)[C@H](C)OCC1CCCC1 ZINC001222707315 764090654 /nfs/dbraw/zinc/09/06/54/764090654.db2.gz DGKWAJMEEWBWJS-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)[C@@H](C)OCC1CCCC1 ZINC001222707316 764091587 /nfs/dbraw/zinc/09/15/87/764091587.db2.gz DGKWAJMEEWBWJS-WDEREUQCSA-N 0 0 184.323 3.628 20 0 AHADRN CCC[C@@H](CC)OCC1CCCC1 ZINC001222707318 764090316 /nfs/dbraw/zinc/09/03/16/764090316.db2.gz DIQDXPKRGUROOS-GFCCVEGCSA-N 0 0 184.323 3.772 20 0 AHADRN CCC[C@H](CC)OCC1CCCC1 ZINC001222707319 764088353 /nfs/dbraw/zinc/08/83/53/764088353.db2.gz DIQDXPKRGUROOS-LBPRGKRZSA-N 0 0 184.323 3.772 20 0 AHADRN C[C@H]1CCC[C@H](OCC2CCCC2)C1 ZINC001222707341 764089036 /nfs/dbraw/zinc/08/90/36/764089036.db2.gz DNAVSJZBMPNHTP-AAEUAGOBSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CCC[C@@H](OCC2CCCC2)C1 ZINC001222707348 764087616 /nfs/dbraw/zinc/08/76/16/764087616.db2.gz DNAVSJZBMPNHTP-DGCLKSJQSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CCC[C@@H](OCC2CCCC2)C1 ZINC001222707349 764090779 /nfs/dbraw/zinc/09/07/79/764090779.db2.gz DNAVSJZBMPNHTP-WCQYABFASA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CCC[C@H](OCC2CCCC2)C1 ZINC001222707350 764090480 /nfs/dbraw/zinc/09/04/80/764090480.db2.gz DNAVSJZBMPNHTP-YPMHNXCESA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CC[C@H](OCC2CCCC2)CC1 ZINC001222707950 764090804 /nfs/dbraw/zinc/09/08/04/764090804.db2.gz JYXHIOOSNBAXKO-AULYBMBSSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CC[C@@H](OCC2CCCC2)CC1 ZINC001222707951 764087669 /nfs/dbraw/zinc/08/76/69/764087669.db2.gz JYXHIOOSNBAXKO-BJHJDKERSA-N 0 0 196.334 3.772 20 0 AHADRN CC1CCC(OCC2CCCC2)CC1 ZINC001222707952 764088995 /nfs/dbraw/zinc/08/89/95/764088995.db2.gz JYXHIOOSNBAXKO-UHFFFAOYSA-N 0 0 196.334 3.772 20 0 AHADRN CC(C)C(OCC1CCCC1)C(C)C ZINC001222708174 764090717 /nfs/dbraw/zinc/09/07/17/764090717.db2.gz LZRRHRBHPXLYEB-UHFFFAOYSA-N 0 0 198.350 3.874 20 0 AHADRN C[C@H]1CCCC[C@@H]1OCC1CCCC1 ZINC001222708564 764088071 /nfs/dbraw/zinc/08/80/71/764088071.db2.gz OWBRXMQHRVHYTI-AAEUAGOBSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CCCC[C@H]1OCC1CCCC1 ZINC001222708565 764090666 /nfs/dbraw/zinc/09/06/66/764090666.db2.gz OWBRXMQHRVHYTI-DGCLKSJQSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H]1CCCC[C@H]1OCC1CCCC1 ZINC001222708566 764091567 /nfs/dbraw/zinc/09/15/67/764091567.db2.gz OWBRXMQHRVHYTI-WCQYABFASA-N 0 0 196.334 3.772 20 0 AHADRN C[C@@H]1CCCC[C@@H]1OCC1CCCC1 ZINC001222708567 764089381 /nfs/dbraw/zinc/08/93/81/764089381.db2.gz OWBRXMQHRVHYTI-YPMHNXCESA-N 0 0 196.334 3.772 20 0 AHADRN CCCC[C@@H](C)OCC1CCCC1 ZINC001222709142 764091406 /nfs/dbraw/zinc/09/14/06/764091406.db2.gz TWVQKCBJNSDWSQ-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CCCC[C@H](C)OCC1CCCC1 ZINC001222709143 764089558 /nfs/dbraw/zinc/08/95/58/764089558.db2.gz TWVQKCBJNSDWSQ-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN CC(C)C[C@@H](C)OCC1CCCC1 ZINC001222709183 764090927 /nfs/dbraw/zinc/09/09/27/764090927.db2.gz VDBYEXUIBFVURU-LLVKDONJSA-N 0 0 184.323 3.628 20 0 AHADRN CC(C)C[C@H](C)OCC1CCCC1 ZINC001222709184 764089994 /nfs/dbraw/zinc/08/99/94/764089994.db2.gz VDBYEXUIBFVURU-NSHDSACASA-N 0 0 184.323 3.628 20 0 AHADRN C(OC1CCCCCC1)C1CCCC1 ZINC001222709234 764088492 /nfs/dbraw/zinc/08/84/92/764088492.db2.gz WHLHGFBTVXHECH-UHFFFAOYSA-N 0 0 196.334 3.916 20 0 AHADRN C[C@@H](OCC1CCCC1)C1CCCC1 ZINC001222709318 764088765 /nfs/dbraw/zinc/08/87/65/764088765.db2.gz WOMNEKDHBLGHSB-LLVKDONJSA-N 0 0 196.334 3.772 20 0 AHADRN C[C@H](OCC1CCCC1)C1CCCC1 ZINC001222709320 764088937 /nfs/dbraw/zinc/08/89/37/764088937.db2.gz WOMNEKDHBLGHSB-NSHDSACASA-N 0 0 196.334 3.772 20 0 AHADRN CC[C@@H](OCC1CCCC1)C(C)C ZINC001222711199 764096283 /nfs/dbraw/zinc/09/62/83/764096283.db2.gz FTOIXZJMFGNLPA-GFCCVEGCSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](OCC1CCCC1)C(C)C ZINC001222711201 764092423 /nfs/dbraw/zinc/09/24/23/764092423.db2.gz FTOIXZJMFGNLPA-LBPRGKRZSA-N 0 0 184.323 3.628 20 0 AHADRN C[C@@H](OCC1CCCC1)c1ccco1 ZINC001222711485 764096857 /nfs/dbraw/zinc/09/68/57/764096857.db2.gz HSOSBJKNEINSCD-SNVBAGLBSA-N 0 0 194.274 3.547 20 0 AHADRN CC[C@@H](C)OCc1cc(C)cc(C)c1 ZINC001222774064 764108721 /nfs/dbraw/zinc/10/87/21/764108721.db2.gz BYQLVODCWHVNTO-GFCCVEGCSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@H](C)OCc1cc(C)cc(C)c1 ZINC001222776366 764105711 /nfs/dbraw/zinc/10/57/11/764105711.db2.gz BYQLVODCWHVNTO-LBPRGKRZSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@@H](C)OCc1c(C)cccc1C ZINC001222826005 764103877 /nfs/dbraw/zinc/10/38/77/764103877.db2.gz QAUFEDQSWRAZCZ-GFCCVEGCSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@H](C)OCc1c(C)cccc1C ZINC001222826006 764105621 /nfs/dbraw/zinc/10/56/21/764105621.db2.gz QAUFEDQSWRAZCZ-LBPRGKRZSA-N 0 0 192.302 3.619 20 0 AHADRN CCc1ccc(CO[C@H](C)CC)cc1 ZINC001222843853 764105680 /nfs/dbraw/zinc/10/56/80/764105680.db2.gz ZZRDGRPHSIOZSR-LLVKDONJSA-N 0 0 192.302 3.564 20 0 AHADRN CCc1ccc(CO[C@@H](C)CC)cc1 ZINC001222843855 764108911 /nfs/dbraw/zinc/10/89/11/764108911.db2.gz ZZRDGRPHSIOZSR-NSHDSACASA-N 0 0 192.302 3.564 20 0 AHADRN CC[C@@H](C)OCc1ccc(C)c(C)c1 ZINC001222851931 764107063 /nfs/dbraw/zinc/10/70/63/764107063.db2.gz PFSYZGCGSBWXNF-GFCCVEGCSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@H](C)OCc1ccc(C)c(C)c1 ZINC001222851932 764108606 /nfs/dbraw/zinc/10/86/06/764108606.db2.gz PFSYZGCGSBWXNF-LBPRGKRZSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@@H](C)OCc1cc(C)ccc1C ZINC001222904332 764114685 /nfs/dbraw/zinc/11/46/85/764114685.db2.gz KRZCULZHAZOZEH-GFCCVEGCSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@H](C)OCc1cc(C)ccc1C ZINC001222904355 764113457 /nfs/dbraw/zinc/11/34/57/764113457.db2.gz KRZCULZHAZOZEH-LBPRGKRZSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@@H](C)OCc1cccc(C)c1C ZINC001223031273 764140645 /nfs/dbraw/zinc/14/06/45/764140645.db2.gz GYIXNOJPGSMUAB-LLVKDONJSA-N 0 0 192.302 3.619 20 0 AHADRN CC[C@H](C)OCc1cccc(C)c1C ZINC001223031275 764136553 /nfs/dbraw/zinc/13/65/53/764136553.db2.gz GYIXNOJPGSMUAB-NSHDSACASA-N 0 0 192.302 3.619 20 0 AHADRN CCCCC[C@H](C)OCc1ccco1 ZINC001223049891 764141124 /nfs/dbraw/zinc/14/11/24/764141124.db2.gz DOUKLMFTOICGRY-NSHDSACASA-N 0 0 196.290 3.765 20 0 AHADRN CCCC(CCC)OCc1ccco1 ZINC001223052000 764144400 /nfs/dbraw/zinc/14/44/00/764144400.db2.gz BZKAKMAZGHVDCI-UHFFFAOYSA-N 0 0 196.290 3.765 20 0 AHADRN CCCCC[C@@H](C)OCc1ccco1 ZINC001223053655 764145009 /nfs/dbraw/zinc/14/50/09/764145009.db2.gz DOUKLMFTOICGRY-LLVKDONJSA-N 0 0 196.290 3.765 20 0 AHADRN CCC[C@@H](OCc1ccco1)C(C)C ZINC001223054354 764145400 /nfs/dbraw/zinc/14/54/00/764145400.db2.gz MWJVCBVCOGVLDS-GFCCVEGCSA-N 0 0 196.290 3.621 20 0 AHADRN CCC[C@H](OCc1ccco1)C(C)C ZINC001223054356 764144325 /nfs/dbraw/zinc/14/43/25/764144325.db2.gz MWJVCBVCOGVLDS-LBPRGKRZSA-N 0 0 196.290 3.621 20 0 AHADRN CCCC[C@@H](CC)OCc1ccco1 ZINC001223054550 764144277 /nfs/dbraw/zinc/14/42/77/764144277.db2.gz ORWTVUDIEABFCW-LLVKDONJSA-N 0 0 196.290 3.765 20 0 AHADRN CCCC[C@H](CC)OCc1ccco1 ZINC001223054551 764145887 /nfs/dbraw/zinc/14/58/87/764145887.db2.gz ORWTVUDIEABFCW-NSHDSACASA-N 0 0 196.290 3.765 20 0 AHADRN CC[C@@H](OCc1ccco1)C(C)(C)C ZINC001223054556 764145479 /nfs/dbraw/zinc/14/54/79/764145479.db2.gz OTESPZZXRKCAQE-LLVKDONJSA-N 0 0 196.290 3.621 20 0 AHADRN CC[C@H](OCc1ccco1)C(C)(C)C ZINC001223054557 764144562 /nfs/dbraw/zinc/14/45/62/764144562.db2.gz OTESPZZXRKCAQE-NSHDSACASA-N 0 0 196.290 3.621 20 0 AHADRN CC(C)CC[C@@H](C)OCc1ccco1 ZINC001223055232 764144572 /nfs/dbraw/zinc/14/45/72/764144572.db2.gz VKCUXNVRXFALEX-LLVKDONJSA-N 0 0 196.290 3.621 20 0 AHADRN CC(C)CC[C@H](C)OCc1ccco1 ZINC001223055234 764145893 /nfs/dbraw/zinc/14/58/93/764145893.db2.gz VKCUXNVRXFALEX-NSHDSACASA-N 0 0 196.290 3.621 20 0 AHADRN Cc1ccc(CO[C@@H](C)C(C)C)s1 ZINC001223189850 764154193 /nfs/dbraw/zinc/15/41/93/764154193.db2.gz HQFXYXRICSLSNU-JTQLQIEISA-N 0 0 198.331 3.618 20 0 AHADRN Cc1ccc(CO[C@H](C)C(C)C)s1 ZINC001223189887 764155515 /nfs/dbraw/zinc/15/55/15/764155515.db2.gz HQFXYXRICSLSNU-SNVBAGLBSA-N 0 0 198.331 3.618 20 0 AHADRN CCC[C@@H](C)OCc1ccc(C)s1 ZINC001223190674 764155207 /nfs/dbraw/zinc/15/52/07/764155207.db2.gz SGKABOBPNQYEKC-SECBINFHSA-N 0 0 198.331 3.762 20 0 AHADRN CCC[C@H](C)OCc1ccc(C)s1 ZINC001223190675 764154250 /nfs/dbraw/zinc/15/42/50/764154250.db2.gz SGKABOBPNQYEKC-VIFPVBQESA-N 0 0 198.331 3.762 20 0 AHADRN CCC(CC)OCc1ccc(C)s1 ZINC001223190723 764154195 /nfs/dbraw/zinc/15/41/95/764154195.db2.gz SZVAEYQBUWQIDI-UHFFFAOYSA-N 0 0 198.331 3.762 20 0 AHADRN Cc1ccc(COC2CCCC2)s1 ZINC001223190790 764155573 /nfs/dbraw/zinc/15/55/73/764155573.db2.gz VZWVRSNPHIANCD-UHFFFAOYSA-N 0 0 196.315 3.516 20 0 AHADRN CC[C@@H](C)[C@@H](C)OCc1ccsc1 ZINC001223334985 764157072 /nfs/dbraw/zinc/15/70/72/764157072.db2.gz BOBUKZYELXONKU-NXEZZACHSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](C)[C@H](C)OCc1ccsc1 ZINC001223334992 764156859 /nfs/dbraw/zinc/15/68/59/764156859.db2.gz BOBUKZYELXONKU-UWVGGRQHSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](C)[C@@H](C)OCc1ccsc1 ZINC001223334993 764157564 /nfs/dbraw/zinc/15/75/64/764157564.db2.gz BOBUKZYELXONKU-VHSXEESVSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@@H](C)[C@H](C)OCc1ccsc1 ZINC001223334994 764158329 /nfs/dbraw/zinc/15/83/29/764158329.db2.gz BOBUKZYELXONKU-ZJUUUORDSA-N 0 0 198.331 3.699 20 0 AHADRN CCCC[C@H](C)OCc1ccsc1 ZINC001223335041 764158423 /nfs/dbraw/zinc/15/84/23/764158423.db2.gz CHKDHKWFFVIMHC-JTQLQIEISA-N 0 0 198.331 3.843 20 0 AHADRN CC(C)C[C@@H](C)OCc1ccsc1 ZINC001223335720 764158591 /nfs/dbraw/zinc/15/85/91/764158591.db2.gz HWFBGTIWSIHCPF-SNVBAGLBSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@@H](OCc1ccsc1)C(C)C ZINC001223336695 764160777 /nfs/dbraw/zinc/16/07/77/764160777.db2.gz QMBKSKQZTOEXLE-LLVKDONJSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](OCc1ccsc1)C(C)C ZINC001223336696 764160064 /nfs/dbraw/zinc/16/00/64/764160064.db2.gz QMBKSKQZTOEXLE-NSHDSACASA-N 0 0 198.331 3.699 20 0 AHADRN CCCC[C@@H](C)OCc1ccsc1 ZINC001223337726 764161876 /nfs/dbraw/zinc/16/18/76/764161876.db2.gz CHKDHKWFFVIMHC-SNVBAGLBSA-N 0 0 198.331 3.843 20 0 AHADRN c1cc(COC2CCCCC2)cs1 ZINC001223337777 764161477 /nfs/dbraw/zinc/16/14/77/764161477.db2.gz DLEPVQQPDNSOPD-UHFFFAOYSA-N 0 0 196.315 3.597 20 0 AHADRN CC(C)C[C@H](C)OCc1ccsc1 ZINC001223338145 764162162 /nfs/dbraw/zinc/16/21/62/764162162.db2.gz HWFBGTIWSIHCPF-JTQLQIEISA-N 0 0 198.331 3.699 20 0 AHADRN CCC[C@@H](CC)OCc1ccsc1 ZINC001223338836 764161727 /nfs/dbraw/zinc/16/17/27/764161727.db2.gz OBSZVYAYWZJAFS-LLVKDONJSA-N 0 0 198.331 3.843 20 0 AHADRN CCC[C@H](CC)OCc1ccsc1 ZINC001223338837 764160743 /nfs/dbraw/zinc/16/07/43/764160743.db2.gz OBSZVYAYWZJAFS-NSHDSACASA-N 0 0 198.331 3.843 20 0 AHADRN C[C@@H](O[C@H](C)C1CC1)c1ccccc1 ZINC001223445791 764164929 /nfs/dbraw/zinc/16/49/29/764164929.db2.gz URNHCHPNXWRQEN-GHMZBOCLSA-N 0 0 190.286 3.563 20 0 AHADRN C[C@@H](O[C@@H](C)C1CC1)c1ccccc1 ZINC001223445792 764165400 /nfs/dbraw/zinc/16/54/00/764165400.db2.gz URNHCHPNXWRQEN-MNOVXSKESA-N 0 0 190.286 3.563 20 0 AHADRN C[C@H](O[C@@H](C)C1CC1)c1ccccc1 ZINC001223445793 764163757 /nfs/dbraw/zinc/16/37/57/764163757.db2.gz URNHCHPNXWRQEN-QWRGUYRKSA-N 0 0 190.286 3.563 20 0 AHADRN C[C@@H](O[C@@H](C)c1ccccc1)C1CC1 ZINC001223445794 764163952 /nfs/dbraw/zinc/16/39/52/764163952.db2.gz URNHCHPNXWRQEN-WDEREUQCSA-N 0 0 190.286 3.563 20 0 AHADRN CC(C)[C@@H](C)O[C@@H](C)c1ccccc1 ZINC001223446474 764163925 /nfs/dbraw/zinc/16/39/25/764163925.db2.gz LWGIOXXMSFACDQ-NEPJUHHUSA-N 0 0 192.302 3.809 20 0 AHADRN CC(C)[C@@H](C)O[C@H](C)c1ccccc1 ZINC001223446475 764165241 /nfs/dbraw/zinc/16/52/41/764165241.db2.gz LWGIOXXMSFACDQ-VXGBXAGGSA-N 0 0 192.302 3.809 20 0 AHADRN CCC[C@H](C)O[C@H](C)c1ccccc1 ZINC001223446636 764163104 /nfs/dbraw/zinc/16/31/04/764163104.db2.gz ODNHIQSZOBLMSQ-NWDGAFQWSA-N 0 0 192.302 3.953 20 0 AHADRN CCC[C@H](C)O[C@@H](C)c1ccccc1 ZINC001223446637 764164439 /nfs/dbraw/zinc/16/44/39/764164439.db2.gz ODNHIQSZOBLMSQ-RYUDHWBXSA-N 0 0 192.302 3.953 20 0 AHADRN CCC(CC)O[C@H](C)c1ccccc1 ZINC001223448169 764163907 /nfs/dbraw/zinc/16/39/07/764163907.db2.gz JRTHBXPNCDFJJZ-LLVKDONJSA-N 0 0 192.302 3.953 20 0 AHADRN CCC(CC)O[C@@H](C)c1ccccc1 ZINC001223448171 764165053 /nfs/dbraw/zinc/16/50/53/764165053.db2.gz JRTHBXPNCDFJJZ-NSHDSACASA-N 0 0 192.302 3.953 20 0 AHADRN CC(C)[C@H](C)O[C@H](C)c1ccccc1 ZINC001223448553 764163892 /nfs/dbraw/zinc/16/38/92/764163892.db2.gz LWGIOXXMSFACDQ-NWDGAFQWSA-N 0 0 192.302 3.809 20 0 AHADRN CC(C)[C@H](C)O[C@@H](C)c1ccccc1 ZINC001223448554 764163805 /nfs/dbraw/zinc/16/38/05/764163805.db2.gz LWGIOXXMSFACDQ-RYUDHWBXSA-N 0 0 192.302 3.809 20 0 AHADRN CCC[C@@H](C)O[C@@H](C)c1ccccc1 ZINC001223448838 764162841 /nfs/dbraw/zinc/16/28/41/764162841.db2.gz ODNHIQSZOBLMSQ-NEPJUHHUSA-N 0 0 192.302 3.953 20 0 AHADRN CCC[C@@H](C)O[C@H](C)c1ccccc1 ZINC001223448839 764164667 /nfs/dbraw/zinc/16/46/67/764164667.db2.gz ODNHIQSZOBLMSQ-VXGBXAGGSA-N 0 0 192.302 3.953 20 0 AHADRN C=C(OC(CC)CC)c1ccccc1 ZINC001223636625 764170499 /nfs/dbraw/zinc/17/04/99/764170499.db2.gz BVSKWLRZZNNMDM-UHFFFAOYSA-N 0 0 190.286 3.863 20 0 AHADRN C=C(O[C@H](C)CCC)c1ccccc1 ZINC001223636982 764170161 /nfs/dbraw/zinc/17/01/61/764170161.db2.gz JPDXWVRACAAHDI-LLVKDONJSA-N 0 0 190.286 3.863 20 0 AHADRN C=C(O[C@@H](C)CCC)c1ccccc1 ZINC001223636983 764170846 /nfs/dbraw/zinc/17/08/46/764170846.db2.gz JPDXWVRACAAHDI-NSHDSACASA-N 0 0 190.286 3.863 20 0 AHADRN C=C(O[C@H](C)C(C)C)c1ccccc1 ZINC001223640355 764172036 /nfs/dbraw/zinc/17/20/36/764172036.db2.gz ZFFAEHXBUWFYJO-LLVKDONJSA-N 0 0 190.286 3.718 20 0 AHADRN C=C(O[C@@H](C)C(C)C)c1ccccc1 ZINC001223640356 764171273 /nfs/dbraw/zinc/17/12/73/764171273.db2.gz ZFFAEHXBUWFYJO-NSHDSACASA-N 0 0 190.286 3.718 20 0 AHADRN CC[C@@H](OC1CCC1)c1ccccc1 ZINC001223707842 764170299 /nfs/dbraw/zinc/17/02/99/764170299.db2.gz JJNNOFQXRQPLDW-CYBMUJFWSA-N 0 0 190.286 3.707 20 0 AHADRN CC[C@H](OC1CCC1)c1ccccc1 ZINC001223707846 764170258 /nfs/dbraw/zinc/17/02/58/764170258.db2.gz JJNNOFQXRQPLDW-ZDUSSCGKSA-N 0 0 190.286 3.707 20 0 AHADRN CC[C@H](C)O[C@@H](CC)c1ccccc1 ZINC001223709113 764171360 /nfs/dbraw/zinc/17/13/60/764171360.db2.gz VAUHGAJYMYBCGJ-AAEUAGOBSA-N 0 0 192.302 3.953 20 0 AHADRN CC[C@@H](C)O[C@@H](CC)c1ccccc1 ZINC001223709114 764171551 /nfs/dbraw/zinc/17/15/51/764171551.db2.gz VAUHGAJYMYBCGJ-YPMHNXCESA-N 0 0 192.302 3.953 20 0 AHADRN CCCCC[C@@H](C)OCc1ccoc1 ZINC001223782157 764171611 /nfs/dbraw/zinc/17/16/11/764171611.db2.gz FHEFAHOBLMWWKN-LLVKDONJSA-N 0 0 196.290 3.765 20 0 AHADRN CCCCC[C@H](C)OCc1ccoc1 ZINC001223782166 764172572 /nfs/dbraw/zinc/17/25/72/764172572.db2.gz FHEFAHOBLMWWKN-NSHDSACASA-N 0 0 196.290 3.765 20 0 AHADRN CCCC[C@@H](CC)OCc1ccoc1 ZINC001223782298 764172317 /nfs/dbraw/zinc/17/23/17/764172317.db2.gz HAPPGOPSTDZHCL-GFCCVEGCSA-N 0 0 196.290 3.765 20 0 AHADRN CCCC[C@H](CC)OCc1ccoc1 ZINC001223782299 764170472 /nfs/dbraw/zinc/17/04/72/764170472.db2.gz HAPPGOPSTDZHCL-LBPRGKRZSA-N 0 0 196.290 3.765 20 0 AHADRN CCC[C@@H](OCc1ccoc1)C(C)C ZINC001223783521 764172187 /nfs/dbraw/zinc/17/21/87/764172187.db2.gz CCJSOQHQYSUYIY-GFCCVEGCSA-N 0 0 196.290 3.621 20 0 AHADRN CCC[C@H](OCc1ccoc1)C(C)C ZINC001223783523 764170008 /nfs/dbraw/zinc/17/00/08/764170008.db2.gz CCJSOQHQYSUYIY-LBPRGKRZSA-N 0 0 196.290 3.621 20 0 AHADRN CCCC(CCC)OCc1ccoc1 ZINC001223783541 764171104 /nfs/dbraw/zinc/17/11/04/764171104.db2.gz CGTGQYHEDNJHSP-UHFFFAOYSA-N 0 0 196.290 3.765 20 0 AHADRN CC[C@@H](OCc1ccoc1)C(C)(C)C ZINC001223784858 764170505 /nfs/dbraw/zinc/17/05/05/764170505.db2.gz HWYMADXERJGGDG-LLVKDONJSA-N 0 0 196.290 3.621 20 0 AHADRN CC[C@H](OCc1ccoc1)C(C)(C)C ZINC001223784859 764172020 /nfs/dbraw/zinc/17/20/20/764172020.db2.gz HWYMADXERJGGDG-NSHDSACASA-N 0 0 196.290 3.621 20 0 AHADRN c1cc(COC2CCCCCC2)co1 ZINC001223786388 764175179 /nfs/dbraw/zinc/17/51/79/764175179.db2.gz SNURGJHQQDRKEO-UHFFFAOYSA-N 0 0 194.274 3.519 20 0 AHADRN CC(C)CC[C@@H](C)OCc1ccoc1 ZINC001223786457 764174418 /nfs/dbraw/zinc/17/44/18/764174418.db2.gz UDCHERICSGTKKD-LLVKDONJSA-N 0 0 196.290 3.621 20 0 AHADRN CC(C)CC[C@H](C)OCc1ccoc1 ZINC001223786461 764173644 /nfs/dbraw/zinc/17/36/44/764173644.db2.gz UDCHERICSGTKKD-NSHDSACASA-N 0 0 196.290 3.621 20 0 AHADRN CC[C@@H](OCc1cccs1)C(C)C ZINC001223863517 764174391 /nfs/dbraw/zinc/17/43/91/764174391.db2.gz CPFOXLGTBDDFGM-LLVKDONJSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](OCc1cccs1)C(C)C ZINC001223863520 764175364 /nfs/dbraw/zinc/17/53/64/764175364.db2.gz CPFOXLGTBDDFGM-NSHDSACASA-N 0 0 198.331 3.699 20 0 AHADRN CC(C)C[C@@H](C)OCc1cccs1 ZINC001223863941 764175859 /nfs/dbraw/zinc/17/58/59/764175859.db2.gz KJZPSBWRHLDDOE-SNVBAGLBSA-N 0 0 198.331 3.699 20 0 AHADRN CCCC[C@H](C)OCc1cccs1 ZINC001223864403 764173801 /nfs/dbraw/zinc/17/38/01/764173801.db2.gz YOQGHRCCMWPLNC-JTQLQIEISA-N 0 0 198.331 3.843 20 0 AHADRN CC[C@@H](C)[C@@H](C)OCc1cccs1 ZINC001223864699 764173733 /nfs/dbraw/zinc/17/37/33/764173733.db2.gz ILMBOSBZJOBCAJ-NXEZZACHSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](C)[C@H](C)OCc1cccs1 ZINC001223864700 764173847 /nfs/dbraw/zinc/17/38/47/764173847.db2.gz ILMBOSBZJOBCAJ-UWVGGRQHSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@H](C)[C@@H](C)OCc1cccs1 ZINC001223864824 764173764 /nfs/dbraw/zinc/17/37/64/764173764.db2.gz ILMBOSBZJOBCAJ-VHSXEESVSA-N 0 0 198.331 3.699 20 0 AHADRN CC[C@@H](C)[C@H](C)OCc1cccs1 ZINC001223864825 764175114 /nfs/dbraw/zinc/17/51/14/764175114.db2.gz ILMBOSBZJOBCAJ-ZJUUUORDSA-N 0 0 198.331 3.699 20 0 AHADRN CC(C)C[C@H](C)OCc1cccs1 ZINC001223865003 764175652 /nfs/dbraw/zinc/17/56/52/764175652.db2.gz KJZPSBWRHLDDOE-JTQLQIEISA-N 0 0 198.331 3.699 20 0 AHADRN c1csc(COC2CCCCC2)c1 ZINC001223865165 764173707 /nfs/dbraw/zinc/17/37/07/764173707.db2.gz LSQRLWYUWOFVIA-UHFFFAOYSA-N 0 0 196.315 3.597 20 0 AHADRN CCCC[C@@H](C)OCc1cccs1 ZINC001223866176 764173913 /nfs/dbraw/zinc/17/39/13/764173913.db2.gz YOQGHRCCMWPLNC-SNVBAGLBSA-N 0 0 198.331 3.843 20 0 AHADRN CCC[C@H](CC)OCc1cccs1 ZINC001223866221 764175692 /nfs/dbraw/zinc/17/56/92/764175692.db2.gz ZVUUWYAWNFQTHS-JTQLQIEISA-N 0 0 198.331 3.843 20 0 AHADRN CCC[C@@H](CC)OCc1cccs1 ZINC001223866222 764174681 /nfs/dbraw/zinc/17/46/81/764174681.db2.gz ZVUUWYAWNFQTHS-SNVBAGLBSA-N 0 0 198.331 3.843 20 0 AHADRN CC(C)O[C@H](C)c1ccc(Cl)cc1 ZINC001223958745 764177084 /nfs/dbraw/zinc/17/70/84/764177084.db2.gz RRBBCOJKKSGUKE-SECBINFHSA-N 0 0 198.693 3.826 20 0 AHADRN C[C@@H](OC1CC1)c1ccc(Cl)cc1 ZINC001223961571 764179471 /nfs/dbraw/zinc/17/94/71/764179471.db2.gz BLZWZNUDRNRMHJ-MRVPVSSYSA-N 0 0 196.677 3.580 20 0 AHADRN CCc1ccccc1CO[C@H](C)CC ZINC001224218327 764182374 /nfs/dbraw/zinc/18/23/74/764182374.db2.gz MUKPACRWVZSIDB-LLVKDONJSA-N 0 0 192.302 3.564 20 0 AHADRN CCc1ccccc1CO[C@@H](C)CC ZINC001224218328 764181449 /nfs/dbraw/zinc/18/14/49/764181449.db2.gz MUKPACRWVZSIDB-NSHDSACASA-N 0 0 192.302 3.564 20 0 AHADRN C[C@H](OCC1CCC(C)CC1)C1CC1 ZINC001224313103 764185697 /nfs/dbraw/zinc/18/56/97/764185697.db2.gz ZBROWRWHPJMSLF-CXQJBGSLSA-N 0 0 196.334 3.628 20 0 AHADRN C[C@@H](OCC1CCC(C)CC1)C1CC1 ZINC001224313104 764185804 /nfs/dbraw/zinc/18/58/04/764185804.db2.gz ZBROWRWHPJMSLF-MOENNCHZSA-N 0 0 196.334 3.628 20 0 AHADRN CC(C)[C@H](C)OCC1CCC(C)CC1 ZINC001224313892 764184735 /nfs/dbraw/zinc/18/47/35/764184735.db2.gz FVMXCIDWVZSDHE-CPCZMJQVSA-N 0 0 198.350 3.874 20 0 AHADRN CC(C)[C@@H](C)OCC1CCC(C)CC1 ZINC001224313894 764185986 /nfs/dbraw/zinc/18/59/86/764185986.db2.gz FVMXCIDWVZSDHE-OTTFEQOBSA-N 0 0 198.350 3.874 20 0 AHADRN CC1CCC(COC2CCCC2)CC1 ZINC001224313921 764185747 /nfs/dbraw/zinc/18/57/47/764185747.db2.gz GPRLBDFUVXSVEY-UHFFFAOYSA-N 0 0 196.334 3.772 20 0 AHADRN CC1CCC(CO[C@H]2C=CCC2)CC1 ZINC001224314257 764184186 /nfs/dbraw/zinc/18/41/86/764184186.db2.gz JZPDVUIHUPULTC-BPCQOVAHSA-N 0 0 194.318 3.548 20 0 AHADRN CC1CCC(CO[C@@H]2C=CCC2)CC1 ZINC001224314258 764185768 /nfs/dbraw/zinc/18/57/68/764185768.db2.gz JZPDVUIHUPULTC-WXRRBKDZSA-N 0 0 194.318 3.548 20 0 AHADRN CC1CCC(COC2CC=CC2)CC1 ZINC001224315433 764185410 /nfs/dbraw/zinc/18/54/10/764185410.db2.gz XKOYDHAOLSPUPK-UHFFFAOYSA-N 0 0 194.318 3.548 20 0 AHADRN CC(C)=CCC/C(C)=C/COC1CC1 ZINC001224615588 764225758 /nfs/dbraw/zinc/22/57/58/764225758.db2.gz NSZYKMKUGVCJLY-FMIVXFBMSA-N 0 0 194.318 3.858 20 0 AHADRN CCCCCO[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001224659729 764231129 /nfs/dbraw/zinc/23/11/29/764231129.db2.gz FJPKRXNXDFSCSD-CNDDSTCGSA-N 0 0 196.334 3.628 20 0 AHADRN CCCCCO[C@H](C)C1CCCC1 ZINC001224660328 764230664 /nfs/dbraw/zinc/23/06/64/764230664.db2.gz HXHUOJQMBNXLJM-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@@H](C)C1CCCC1 ZINC001224660329 764232294 /nfs/dbraw/zinc/23/22/94/764232294.db2.gz HXHUOJQMBNXLJM-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCOC(C(C)C)C(C)C ZINC001224660783 764232721 /nfs/dbraw/zinc/23/27/21/764232721.db2.gz OLIGHKDPUWPXCR-UHFFFAOYSA-N 0 0 186.339 3.874 20 0 AHADRN CCCCCO[C@H](C)CC(C)C ZINC001224661234 764232589 /nfs/dbraw/zinc/23/25/89/764232589.db2.gz QZZWCXDZPVSMMS-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCCO[C@@H](C)CC(C)C ZINC001224661237 764232287 /nfs/dbraw/zinc/23/22/87/764232287.db2.gz QZZWCXDZPVSMMS-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CCCCCO[C@H]1CCCC[C@H]1C ZINC001224661272 764232331 /nfs/dbraw/zinc/23/23/31/764232331.db2.gz RONQNDVCHWORHF-NEPJUHHUSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@@H]1CCCC[C@@H]1C ZINC001224661275 764231455 /nfs/dbraw/zinc/23/14/55/764231455.db2.gz RONQNDVCHWORHF-NWDGAFQWSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@H]1CCCC[C@@H]1C ZINC001224661277 764231340 /nfs/dbraw/zinc/23/13/40/764231340.db2.gz RONQNDVCHWORHF-RYUDHWBXSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@@H]1CCCC[C@H]1C ZINC001224661279 764230689 /nfs/dbraw/zinc/23/06/89/764230689.db2.gz RONQNDVCHWORHF-VXGBXAGGSA-N 0 0 184.323 3.772 20 0 AHADRN CCCC[C@@H](C)OC[C@H](C)CC ZINC001224661614 764232080 /nfs/dbraw/zinc/23/20/80/764232080.db2.gz BANOZMOUNYNNRA-GHMZBOCLSA-N 0 0 172.312 3.628 20 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764232448 /nfs/dbraw/zinc/23/24/48/764232448.db2.gz BUXIOBCNGNEGEX-UMSGYPCISA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001224661840 764231994 /nfs/dbraw/zinc/23/19/94/764231994.db2.gz BUXIOBCNGNEGEX-WUHRBBMRSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001224661841 764230764 /nfs/dbraw/zinc/23/07/64/764230764.db2.gz BUXIOBCNGNEGEX-ZDEQEGDKSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@@H](C)COC(C(C)C)C(C)C ZINC001224661848 764231137 /nfs/dbraw/zinc/23/11/37/764231137.db2.gz BXJFUEKZFNWUNN-LLVKDONJSA-N 0 0 186.339 3.730 20 0 AHADRN CC[C@H](C)COC(C(C)C)C(C)C ZINC001224661853 764232221 /nfs/dbraw/zinc/23/22/21/764232221.db2.gz BXJFUEKZFNWUNN-NSHDSACASA-N 0 0 186.339 3.730 20 0 AHADRN CC[C@@H](C)CO[C@@H]1CC2CCC1CC2 ZINC001224661855 764231042 /nfs/dbraw/zinc/23/10/42/764231042.db2.gz BZESXPCZGICXMD-IKWCTNDRSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CC2CCC1CC2 ZINC001224661857 764232382 /nfs/dbraw/zinc/23/23/82/764232382.db2.gz BZESXPCZGICXMD-WTIISPKJSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H]1CC2CCC1CC2 ZINC001224661858 764230553 /nfs/dbraw/zinc/23/05/53/764230553.db2.gz BZESXPCZGICXMD-XVSSEFHLSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H]1CC2CCC1CC2 ZINC001224661860 764230671 /nfs/dbraw/zinc/23/06/71/764230671.db2.gz BZESXPCZGICXMD-YWPUVAFDSA-N 0 0 196.334 3.628 20 0 AHADRN CC[C@@H](C)CO[C@@H]1CCC=CCCC1 ZINC001224661930 764231952 /nfs/dbraw/zinc/23/19/52/764231952.db2.gz DDVKVXSXZIMGFH-CHWSQXEVSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@@H](C)CO[C@H]1CCC=CCCC1 ZINC001224661935 764231261 /nfs/dbraw/zinc/23/12/61/764231261.db2.gz DDVKVXSXZIMGFH-OLZOCXBDSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC=CCCC1 ZINC001224661938 764231148 /nfs/dbraw/zinc/23/11/48/764231148.db2.gz DDVKVXSXZIMGFH-QWHCGFSZSA-N 0 0 196.334 3.938 20 0 AHADRN CC[C@H](C)CO[C@H]1CCC=CCCC1 ZINC001224661939 764232511 /nfs/dbraw/zinc/23/25/11/764232511.db2.gz DDVKVXSXZIMGFH-STQMWFEESA-N 0 0 196.334 3.938 20 0 AHADRN CCCCCO[C@H]1CC2CCC1CC2 ZINC001224662070 764230807 /nfs/dbraw/zinc/23/08/07/764230807.db2.gz WRZBYWLEZHSMPJ-BPCQOVAHSA-N 0 0 196.334 3.772 20 0 AHADRN CCCCCO[C@@H]1CC2CCC1CC2 ZINC001224662071 764231941 /nfs/dbraw/zinc/23/19/41/764231941.db2.gz WRZBYWLEZHSMPJ-WXRRBKDZSA-N 0 0 196.334 3.772 20 0 AHADRN CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC001224662113 764230623 /nfs/dbraw/zinc/23/06/23/764230623.db2.gz XHPCLBLRYPLYRR-NEPJUHHUSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC001224662117 764231360 /nfs/dbraw/zinc/23/13/60/764231360.db2.gz XHPCLBLRYPLYRR-NWDGAFQWSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCO[C@H]1CCC[C@H](C)C1 ZINC001224662125 764231290 /nfs/dbraw/zinc/23/12/90/764231290.db2.gz XHPCLBLRYPLYRR-RYUDHWBXSA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@@H](C)CO[C@H](CC)C(C)(C)C ZINC001224662591 764233298 /nfs/dbraw/zinc/23/32/98/764233298.db2.gz GNDZXMLMRQRCMQ-GHMZBOCLSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](C)CO[C@@H](CC)C(C)(C)C ZINC001224662592 764233894 /nfs/dbraw/zinc/23/38/94/764233894.db2.gz GNDZXMLMRQRCMQ-MNOVXSKESA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H](CC)C(C)(C)C ZINC001224662594 764235225 /nfs/dbraw/zinc/23/52/25/764235225.db2.gz GNDZXMLMRQRCMQ-QWRGUYRKSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](OC[C@@H](C)CC)C(C)(C)C ZINC001224662596 764233599 /nfs/dbraw/zinc/23/35/99/764233599.db2.gz GNDZXMLMRQRCMQ-WDEREUQCSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](CC)OC[C@H](C)CC ZINC001224662702 764234220 /nfs/dbraw/zinc/23/42/20/764234220.db2.gz HJFQKAYNPIGWMX-GHMZBOCLSA-N 0 0 172.312 3.628 20 0 AHADRN CCC[C@H](CC)OC[C@H](C)CC ZINC001224662703 764235307 /nfs/dbraw/zinc/23/53/07/764235307.db2.gz HJFQKAYNPIGWMX-MNOVXSKESA-N 0 0 172.312 3.628 20 0 AHADRN CCC[C@H](CC)OC[C@@H](C)CC ZINC001224662704 764235323 /nfs/dbraw/zinc/23/53/23/764235323.db2.gz HJFQKAYNPIGWMX-QWRGUYRKSA-N 0 0 172.312 3.628 20 0 AHADRN CCC[C@@H](CC)OC[C@@H](C)CC ZINC001224662706 764233357 /nfs/dbraw/zinc/23/33/57/764233357.db2.gz HJFQKAYNPIGWMX-WDEREUQCSA-N 0 0 172.312 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCCC[C@H]1C ZINC001224662765 764233673 /nfs/dbraw/zinc/23/36/73/764233673.db2.gz HTISHOVZMHOQSA-QJPTWQEYSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCCC[C@@H]1C ZINC001224662766 764234493 /nfs/dbraw/zinc/23/44/93/764234493.db2.gz HTISHOVZMHOQSA-SDDRHHMPSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CCCC[C@@H]1C ZINC001224662767 764235166 /nfs/dbraw/zinc/23/51/66/764235166.db2.gz HTISHOVZMHOQSA-SRVKXCTJSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CCCC[C@H]1C ZINC001224662768 764233175 /nfs/dbraw/zinc/23/31/75/764233175.db2.gz HTISHOVZMHOQSA-TUAOUCFPSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H]1CCCC[C@H]1C ZINC001224662769 764235043 /nfs/dbraw/zinc/23/50/43/764235043.db2.gz HTISHOVZMHOQSA-UTUOFQBUSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001224662952 764233307 /nfs/dbraw/zinc/23/33/07/764233307.db2.gz IJGCZVSWXLXGMI-NDBYEHHHSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)COC1C[C@H](C)C[C@@H](C)C1 ZINC001224662965 764235203 /nfs/dbraw/zinc/23/52/03/764235203.db2.gz IJGCZVSWXLXGMI-QJPTWQEYSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)COC1C[C@@H](C)C[C@H](C)C1 ZINC001224662984 764233394 /nfs/dbraw/zinc/23/33/94/764233394.db2.gz IJGCZVSWXLXGMI-SRVKXCTJSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001224662985 764234909 /nfs/dbraw/zinc/23/49/09/764234909.db2.gz IJGCZVSWXLXGMI-WUHRBBMRSA-N 0 0 198.350 3.874 20 0 AHADRN CCC[C@H](OC[C@H](C)CC)C(C)C ZINC001224663194 764233687 /nfs/dbraw/zinc/23/36/87/764233687.db2.gz JVFYKFHJIYUXEA-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](OC[C@@H](C)CC)C(C)C ZINC001224663196 764235161 /nfs/dbraw/zinc/23/51/61/764235161.db2.gz JVFYKFHJIYUXEA-NWDGAFQWSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@H](OC[C@@H](C)CC)C(C)C ZINC001224663199 764233187 /nfs/dbraw/zinc/23/31/87/764233187.db2.gz JVFYKFHJIYUXEA-RYUDHWBXSA-N 0 0 186.339 3.874 20 0 AHADRN CCC[C@@H](OC[C@H](C)CC)C(C)C ZINC001224663205 764234691 /nfs/dbraw/zinc/23/46/91/764234691.db2.gz JVFYKFHJIYUXEA-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@@H](C)C1 ZINC001224663306 764235516 /nfs/dbraw/zinc/23/55/16/764235516.db2.gz KEHAGINGPODUAG-QJPTWQEYSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@H](C)C1 ZINC001224663308 764234685 /nfs/dbraw/zinc/23/46/85/764234685.db2.gz KEHAGINGPODUAG-SDDRHHMPSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CCC[C@H](C)C1 ZINC001224663312 764235244 /nfs/dbraw/zinc/23/52/44/764235244.db2.gz KEHAGINGPODUAG-SRVKXCTJSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CCC[C@@H](C)C1 ZINC001224663315 764235344 /nfs/dbraw/zinc/23/53/44/764235344.db2.gz KEHAGINGPODUAG-TUAOUCFPSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H](C)c1cccs1 ZINC001224664561 764234301 /nfs/dbraw/zinc/23/43/01/764234301.db2.gz QWXMLUONLXWAJZ-NXEZZACHSA-N 0 0 198.331 3.872 20 0 AHADRN CC[C@H](C)CO[C@@H](C)c1cccs1 ZINC001224664565 764233272 /nfs/dbraw/zinc/23/32/72/764233272.db2.gz QWXMLUONLXWAJZ-UWVGGRQHSA-N 0 0 198.331 3.872 20 0 AHADRN CC[C@H](C)CO[C@H](C)c1cccs1 ZINC001224664566 764233798 /nfs/dbraw/zinc/23/37/98/764233798.db2.gz QWXMLUONLXWAJZ-VHSXEESVSA-N 0 0 198.331 3.872 20 0 AHADRN CC[C@@H](C)CO[C@@H](C)c1cccs1 ZINC001224664567 764235612 /nfs/dbraw/zinc/23/56/12/764235612.db2.gz QWXMLUONLXWAJZ-ZJUUUORDSA-N 0 0 198.331 3.872 20 0 AHADRN CC[C@H](C)CO[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001224664795 764233930 /nfs/dbraw/zinc/23/39/30/764233930.db2.gz SFXADPHEPFWZAK-QNWHQSFQSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001224664799 764235216 /nfs/dbraw/zinc/23/52/16/764235216.db2.gz SFXADPHEPFWZAK-UMSGYPCISA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001224664800 764233133 /nfs/dbraw/zinc/23/31/33/764233133.db2.gz SFXADPHEPFWZAK-WUHRBBMRSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001224664801 764234998 /nfs/dbraw/zinc/23/49/98/764234998.db2.gz SFXADPHEPFWZAK-ZDEQEGDKSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@@H](C)COC1CCCCCC1 ZINC001224665195 764237625 /nfs/dbraw/zinc/23/76/25/764237625.db2.gz VIZANBOLFWKJPB-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@H](C)COC1CCCCCC1 ZINC001224665196 764238189 /nfs/dbraw/zinc/23/81/89/764238189.db2.gz VIZANBOLFWKJPB-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@@H](C)CO[C@H]1CC[C@H](C)CC1 ZINC001224666337 764237434 /nfs/dbraw/zinc/23/74/34/764237434.db2.gz ZIDSTWQMTXWJFW-IJLUTSLNSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H]1CC[C@H](C)CC1 ZINC001224666338 764236778 /nfs/dbraw/zinc/23/67/78/764236778.db2.gz ZIDSTWQMTXWJFW-SRVKXCTJSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)COC1CCC(C)CC1 ZINC001224666340 764237427 /nfs/dbraw/zinc/23/74/27/764237427.db2.gz ZIDSTWQMTXWJFW-UNXYVOJBSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)COC1CCC(C)CC1 ZINC001224666342 764237274 /nfs/dbraw/zinc/23/72/74/764237274.db2.gz ZIDSTWQMTXWJFW-VOMCLLRMSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@@H](C)CCC(C)C ZINC001224666436 764237392 /nfs/dbraw/zinc/23/73/92/764237392.db2.gz ZWUBMGSLWAHBJO-NEPJUHHUSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)CO[C@H](C)CCC(C)C ZINC001224666437 764236538 /nfs/dbraw/zinc/23/65/38/764236538.db2.gz ZWUBMGSLWAHBJO-NWDGAFQWSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H](C)CCC(C)C ZINC001224666438 764238538 /nfs/dbraw/zinc/23/85/38/764238538.db2.gz ZWUBMGSLWAHBJO-RYUDHWBXSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](C)CO[C@H](C)CCC(C)C ZINC001224666439 764236897 /nfs/dbraw/zinc/23/68/97/764236897.db2.gz ZWUBMGSLWAHBJO-VXGBXAGGSA-N 0 0 186.339 3.874 20 0 AHADRN CC[C@@H](C)CO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001224666722 764238282 /nfs/dbraw/zinc/23/82/82/764238282.db2.gz AAHMSARDIRJFSD-NDBYEHHHSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)COC1[C@H](C)CCC[C@H]1C ZINC001224666723 764237005 /nfs/dbraw/zinc/23/70/05/764237005.db2.gz AAHMSARDIRJFSD-QJPTWQEYSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)COC1[C@@H](C)CCC[C@@H]1C ZINC001224666724 764237091 /nfs/dbraw/zinc/23/70/91/764237091.db2.gz AAHMSARDIRJFSD-SRVKXCTJSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001224666725 764238127 /nfs/dbraw/zinc/23/81/27/764238127.db2.gz AAHMSARDIRJFSD-WUHRBBMRSA-N 0 0 198.350 3.874 20 0 AHADRN CCCCCCO[C@H](C)C1CCC1 ZINC001224666841 764236235 /nfs/dbraw/zinc/23/62/35/764236235.db2.gz BVVOEKZRAZVPKW-LLVKDONJSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCCO[C@@H](C)C1CCC1 ZINC001224666843 764238248 /nfs/dbraw/zinc/23/82/48/764238248.db2.gz BVVOEKZRAZVPKW-NSHDSACASA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@@H](C)CO[C@H]1CCCC[C@@H]1C ZINC001224667509 764237566 /nfs/dbraw/zinc/23/75/66/764237566.db2.gz HTISHOVZMHOQSA-WOPDTQHZSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H]1CCC[C@@H](C)C1 ZINC001224667642 764237681 /nfs/dbraw/zinc/23/76/81/764237681.db2.gz KEHAGINGPODUAG-UTUOFQBUSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001224667979 764236571 /nfs/dbraw/zinc/23/65/71/764236571.db2.gz OBMBEGSHNDPQGP-QNWHQSFQSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001224667980 764236940 /nfs/dbraw/zinc/23/69/40/764236940.db2.gz OBMBEGSHNDPQGP-UMSGYPCISA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@H](C)[C@H]1C ZINC001224667981 764238228 /nfs/dbraw/zinc/23/82/28/764238228.db2.gz OBMBEGSHNDPQGP-WUHRBBMRSA-N 0 0 198.350 3.874 20 0 AHADRN CC[C@H](C)CO[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001224667982 764237688 /nfs/dbraw/zinc/23/76/88/764237688.db2.gz OBMBEGSHNDPQGP-ZDEQEGDKSA-N 0 0 198.350 3.874 20 0 AHADRN CCCCCCO[C@@H]1CCC[C@@H]1C ZINC001224668442 764240384 /nfs/dbraw/zinc/24/03/84/764240384.db2.gz SMJNXYCRBQVHIY-NWDGAFQWSA-N 0 0 184.323 3.772 20 0 AHADRN CCCCCCO[C@H]1CCC[C@@H]1C ZINC001224668444 764241976 /nfs/dbraw/zinc/24/19/76/764241976.db2.gz SMJNXYCRBQVHIY-RYUDHWBXSA-N 0 0 184.323 3.772 20 0 AHADRN CC[C@@H](C)CO[C@H](C)C1CCCC1 ZINC001224668553 764241090 /nfs/dbraw/zinc/24/10/90/764241090.db2.gz UJZONXPVLUVOJH-GHMZBOCLSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@@H](C)C1CCCC1 ZINC001224668556 764240209 /nfs/dbraw/zinc/24/02/09/764240209.db2.gz UJZONXPVLUVOJH-MNOVXSKESA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@@H](C)C1CCCC1 ZINC001224668561 764240978 /nfs/dbraw/zinc/24/09/78/764240978.db2.gz UJZONXPVLUVOJH-QWRGUYRKSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@H](C)CO[C@H](C)C1CCCC1 ZINC001224668564 764240322 /nfs/dbraw/zinc/24/03/22/764240322.db2.gz UJZONXPVLUVOJH-WDEREUQCSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCCCO[C@H](C)C(F)(F)F ZINC001224668667 764240242 /nfs/dbraw/zinc/24/02/42/764240242.db2.gz VQQRVIVJKWKLPB-MRVPVSSYSA-N 0 0 198.228 3.534 20 0 AHADRN CCCCCCO[C@@H](C)C(F)(F)F ZINC001224668683 764240270 /nfs/dbraw/zinc/24/02/70/764240270.db2.gz VQQRVIVJKWKLPB-QMMMGPOBSA-N 0 0 198.228 3.534 20 0 AHADRN CC[C@H](C)CO[C@H]1CC[C@@H](C)CC1 ZINC001224669096 764240253 /nfs/dbraw/zinc/24/02/53/764240253.db2.gz ZIDSTWQMTXWJFW-SDDRHHMPSA-N 0 0 184.323 3.628 20 0 AHADRN CC[C@@H](C)CO[C@H]1CC[C@@H](C)CC1 ZINC001224669097 764241643 /nfs/dbraw/zinc/24/16/43/764241643.db2.gz ZIDSTWQMTXWJFW-UTUOFQBUSA-N 0 0 184.323 3.628 20 0 AHADRN CCCCCCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001224669247 764239423 /nfs/dbraw/zinc/23/94/23/764239423.db2.gz BNTHPZAUOPEGAC-FRRDWIJNSA-N 0 0 196.334 3.772 20 0 AHADRN CCCCCCO[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224670150 764240999 /nfs/dbraw/zinc/24/09/99/764240999.db2.gz QPEPWKDKLQOGIZ-XQQFMLRXSA-N 0 0 194.318 3.548 20 0 AHADRN CCCCCCO[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224670151 764239365 /nfs/dbraw/zinc/23/93/65/764239365.db2.gz QPEPWKDKLQOGIZ-YNEHKIRRSA-N 0 0 194.318 3.548 20 0 AHADRN CCCCCCO[C@H](C)C(C)C ZINC001224670246 764239862 /nfs/dbraw/zinc/23/98/62/764239862.db2.gz RUDNNTZGURFJBA-LLVKDONJSA-N 0 0 172.312 3.628 20 0 AHADRN CCCCCCO[C@@H](C)C(C)C ZINC001224670247 764240684 /nfs/dbraw/zinc/24/06/84/764240684.db2.gz RUDNNTZGURFJBA-NSHDSACASA-N 0 0 172.312 3.628 20 0 AHADRN CCCCCCO[C@H]1CC[C@@H](C)C1 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CCC[C@@H](OCCCF)[C@H](C)CC ZINC001225157435 764290378 /nfs/dbraw/zinc/29/03/78/764290378.db2.gz JCGIQIDJZIKVOG-GHMZBOCLSA-N 0 0 190.302 3.577 20 0 AHADRN CCC[C@H](OCCCF)[C@H](C)CC ZINC001225157436 764289652 /nfs/dbraw/zinc/28/96/52/764289652.db2.gz JCGIQIDJZIKVOG-MNOVXSKESA-N 0 0 190.302 3.577 20 0 AHADRN CCC[C@H](OCCCF)[C@@H](C)CC ZINC001225157437 764291409 /nfs/dbraw/zinc/29/14/09/764291409.db2.gz JCGIQIDJZIKVOG-QWRGUYRKSA-N 0 0 190.302 3.577 20 0 AHADRN CCC[C@@H](OCCCF)[C@@H](C)CC ZINC001225157438 764291075 /nfs/dbraw/zinc/29/10/75/764291075.db2.gz JCGIQIDJZIKVOG-WDEREUQCSA-N 0 0 190.302 3.577 20 0 AHADRN CC[C@@H](C)C[C@@H](CC)OCCCF ZINC001225157694 764290154 /nfs/dbraw/zinc/29/01/54/764290154.db2.gz OPLDBJFEOGSYKI-GHMZBOCLSA-N 0 0 190.302 3.577 20 0 AHADRN CC[C@@H](C)C[C@H](CC)OCCCF ZINC001225157695 764291150 /nfs/dbraw/zinc/29/11/50/764291150.db2.gz OPLDBJFEOGSYKI-MNOVXSKESA-N 0 0 190.302 3.577 20 0 AHADRN CC[C@H](C)C[C@H](CC)OCCCF ZINC001225157696 764291544 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/nfs/dbraw/zinc/03/93/26/765039326.db2.gz FTGQUQGHFDPHNL-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cc2ccccc2cn1 ZINC001242754882 765039585 /nfs/dbraw/zinc/03/95/85/765039585.db2.gz HYUCNXJVDRSYDI-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1cc(C)c2ccccc2n1 ZINC001242754930 765040076 /nfs/dbraw/zinc/04/00/76/765040076.db2.gz KJHQYFARNRVQND-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nc2ccccc2cc1C ZINC001242755003 765040149 /nfs/dbraw/zinc/04/01/49/765040149.db2.gz LWCIEPDCCUBHIK-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2sccc2n1 ZINC001242755158 765040205 /nfs/dbraw/zinc/04/02/05/765040205.db2.gz PYEBGJYYKOKURY-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1nccc2sccc21 ZINC001242755174 765040328 /nfs/dbraw/zinc/04/03/28/765040328.db2.gz QOPHQKGDEXEOOB-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1nccc2ccsc21 ZINC001242755192 765039349 /nfs/dbraw/zinc/03/93/49/765039349.db2.gz RLIANVRLIOGAAV-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1nccc2ccc(C)cc21 ZINC001242755203 765041143 /nfs/dbraw/zinc/04/11/43/765041143.db2.gz RYRZPMKCECVPLG-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nccc2cc(C)ccc21 ZINC001242755244 765038867 /nfs/dbraw/zinc/03/88/67/765038867.db2.gz UUZJRJROXCDQJE-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nccc2ccccc21 ZINC001242755541 765039984 /nfs/dbraw/zinc/03/99/84/765039984.db2.gz ZSSFZQOLQXVPDH-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc2ccccc2n1 ZINC001242755767 765038953 /nfs/dbraw/zinc/03/89/53/765038953.db2.gz GVSGVMKZHLELPY-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc2cccc(C)c2n1 ZINC001242755849 765038972 /nfs/dbraw/zinc/03/89/72/765038972.db2.gz JCWKNJJUKGCEJC-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ncc(SC)cc1C ZINC001242756261 765039397 /nfs/dbraw/zinc/03/93/97/765039397.db2.gz OCLNPWDNPOPVSW-VMPITWQZSA-N 0 0 193.315 3.535 20 0 AHADRN C/C=C(\C)c1cc(C(C)(C)C)ccn1 ZINC001242756387 765042930 /nfs/dbraw/zinc/04/29/30/765042930.db2.gz DFHOYFLZTFHWPD-UXBLZVDNSA-N 0 0 189.302 3.802 20 0 AHADRN C/C=C(\C)c1ccc2cc(C)ccc2n1 ZINC001242756524 765041699 /nfs/dbraw/zinc/04/16/99/765041699.db2.gz WGASDWXFCSIEMP-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nccc2oc(C)cc21 ZINC001242756803 765042211 /nfs/dbraw/zinc/04/22/11/765042211.db2.gz WRSBUIDBCDGVLS-XBXARRHUSA-N 0 0 187.242 3.559 20 0 AHADRN C/C=C(\C)c1cc2ccsc2cn1 ZINC001242756870 765042521 /nfs/dbraw/zinc/04/25/21/765042521.db2.gz LDUUIGZZFGXSSR-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cccc(C(C)C)n1 ZINC001242756979 765042219 /nfs/dbraw/zinc/04/22/19/765042219.db2.gz PWVZNIRCBPEZMY-BJMVGYQFSA-N 0 0 175.275 3.628 20 0 AHADRN C/C=C(\C)c1ncc(C)c2ccccc21 ZINC001242756998 765044694 /nfs/dbraw/zinc/04/46/94/765044694.db2.gz QVVMIYXNQBWSIU-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nccc2c(C)cccc21 ZINC001242757111 765044184 /nfs/dbraw/zinc/04/41/84/765044184.db2.gz XCCGBNVSFFCRIU-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1nc(C)cc2ccccc21 ZINC001242757146 765042950 /nfs/dbraw/zinc/04/29/50/765042950.db2.gz YLSOCJUQSOKDCP-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccccc1OCC ZINC001242757215 765044321 /nfs/dbraw/zinc/04/43/21/765044321.db2.gz BUVUPBUHDGVRKE-ONNFQVAWSA-N 0 0 176.259 3.509 20 0 AHADRN C/C=C(\C)c1cc(C)cc(F)c1 ZINC001242757236 765041722 /nfs/dbraw/zinc/04/17/22/765041722.db2.gz DETOLITUJACDAJ-RUDMXATFSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1cccc(OC2CC2)c1 ZINC001242757237 765043887 /nfs/dbraw/zinc/04/38/87/765043887.db2.gz DFFFHDSKFDOVRZ-XCVCLJGOSA-N 0 0 188.270 3.651 20 0 AHADRN C/C=C(\C)c1nccc2cccc(C)c21 ZINC001242757253 765043713 /nfs/dbraw/zinc/04/37/13/765043713.db2.gz DWZZINFPBGXGIV-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cc(C(C)(C)F)ccn1 ZINC001242757287 765042623 /nfs/dbraw/zinc/04/26/23/765042623.db2.gz GCEADLMFKADOOU-WEVVVXLNSA-N 0 0 193.265 3.709 20 0 AHADRN C/C=C(\C)c1ccc(OC2CC2)cc1 ZINC001242757312 765044301 /nfs/dbraw/zinc/04/43/01/765044301.db2.gz APDKMYGJDQLRSI-XCVCLJGOSA-N 0 0 188.270 3.651 20 0 AHADRN C/C=C(\C)c1cc(SCC)ccn1 ZINC001242757355 765041899 /nfs/dbraw/zinc/04/18/99/765041899.db2.gz IFRFMPCRVPJABZ-RUDMXATFSA-N 0 0 193.315 3.617 20 0 AHADRN C/C=C(\C)c1c(C)ccc(F)c1OC ZINC001242757392 765044499 /nfs/dbraw/zinc/04/44/99/765044499.db2.gz CDQBBAOYZFWOPL-VMPITWQZSA-N 0 0 194.249 3.566 20 0 AHADRN C/C=C(\C)c1cc2cc[nH]c2cc1C ZINC001242757401 765042471 /nfs/dbraw/zinc/04/24/71/765042471.db2.gz CIUHXRCTAPFWML-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1c(F)cccc1OCC ZINC001242757415 765042797 /nfs/dbraw/zinc/04/27/97/765042797.db2.gz CPRJZTQQVLVITK-RUDMXATFSA-N 0 0 194.249 3.648 20 0 AHADRN C/C=C(\C)c1ccc(F)c(CC)c1 ZINC001242757458 765043517 /nfs/dbraw/zinc/04/35/17/765043517.db2.gz DVEGLASJALXGLQ-RUDMXATFSA-N 0 0 178.250 3.811 20 0 AHADRN C/C=C(\C)c1cccc(CSC)c1 ZINC001242757462 765042811 /nfs/dbraw/zinc/04/28/11/765042811.db2.gz DWNVFAOLGYKDQA-ONNFQVAWSA-N 0 0 192.327 3.973 20 0 AHADRN C/C=C(\C)c1cccc(OC(C)C)c1 ZINC001242757492 765042438 /nfs/dbraw/zinc/04/24/38/765042438.db2.gz KVPPFAZYZWUDIP-VZUCSPMQSA-N 0 0 190.286 3.897 20 0 AHADRN C/C=C(\C)c1ccc2nc(C)ccc2c1 ZINC001242757502 765042202 /nfs/dbraw/zinc/04/22/02/765042202.db2.gz LERKKZBBTKUSOB-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2cccnc2c1 ZINC001242757520 765042898 /nfs/dbraw/zinc/04/28/98/765042898.db2.gz MDQUQLKFIDODLG-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc(C(C)(C)C)cn1 ZINC001242757555 765043510 /nfs/dbraw/zinc/04/35/10/765043510.db2.gz NVIRWSPBPJHKGZ-UXBLZVDNSA-N 0 0 189.302 3.802 20 0 AHADRN C/C=C(\C)c1ccc2c(c1)CC=C2 ZINC001242757590 765043122 /nfs/dbraw/zinc/04/31/22/765043122.db2.gz GECSPPHYQMLFMN-XCVCLJGOSA-N 0 0 170.255 3.679 20 0 AHADRN C/C=C(\C)c1c(C)ccc2cnccc21 ZINC001242757591 765042159 /nfs/dbraw/zinc/04/21/59/765042159.db2.gz GEKYAPRJMWLUKR-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cccc2ncsc21 ZINC001242757593 765043975 /nfs/dbraw/zinc/04/39/75/765043975.db2.gz GLPIGTOALVGLPK-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cccc2[nH]c(C)cc21 ZINC001242757599 765044013 /nfs/dbraw/zinc/04/40/13/765044013.db2.gz GOBVIQBYXUOHHL-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1ccc2ccc(C)nc2c1 ZINC001242757626 765047775 /nfs/dbraw/zinc/04/77/75/765047775.db2.gz HWACSKCHQQVLMA-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2onc(C)c2c1 ZINC001242757669 765047859 /nfs/dbraw/zinc/04/78/59/765047859.db2.gz KBTPRVBNKSUCDJ-XBXARRHUSA-N 0 0 187.242 3.559 20 0 AHADRN C/C=C(\C)c1ccnc2ccccc21 ZINC001242757696 765045211 /nfs/dbraw/zinc/04/52/11/765045211.db2.gz PVRYZSVKLKSIGX-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc(OC(C)C)cc1 ZINC001242757714 765047549 /nfs/dbraw/zinc/04/75/49/765047549.db2.gz QWEUMJPEGAGSTO-VZUCSPMQSA-N 0 0 190.286 3.897 20 0 AHADRN C/C=C(\C)c1cc(F)cc(OCC)c1 ZINC001242757754 765045277 /nfs/dbraw/zinc/04/52/77/765045277.db2.gz KNRDXAJCQMPUDL-RUDMXATFSA-N 0 0 194.249 3.648 20 0 AHADRN C/C=C(\C)c1cc(C)c(F)c(C)c1 ZINC001242757758 765046880 /nfs/dbraw/zinc/04/68/80/765046880.db2.gz TWIIJFHVRZZRTF-VMPITWQZSA-N 0 0 178.250 3.866 20 0 AHADRN C/C=C(\C)c1ccc2nccc(C)c2c1 ZINC001242757773 765046719 /nfs/dbraw/zinc/04/67/19/765046719.db2.gz LBRALSVMDUMRBO-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cc(F)c(C)cc1F ZINC001242757813 765045941 /nfs/dbraw/zinc/04/59/41/765045941.db2.gz MFBYMVQYHFQBFG-QPJJXVBHSA-N 0 0 182.213 3.696 20 0 AHADRN C/C=C(\C)c1ccc(SC)cc1 ZINC001242757829 765047167 /nfs/dbraw/zinc/04/71/67/765047167.db2.gz ANDBBFUYNYWJAQ-RUDMXATFSA-N 0 0 178.300 3.832 20 0 AHADRN C/C=C(\C)c1ccc2[nH]cc(C)c2c1 ZINC001242757859 765048063 /nfs/dbraw/zinc/04/80/63/765048063.db2.gz ARBNXQXVSVVNQJ-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1ccccc1OC1CC1 ZINC001242757864 765045934 /nfs/dbraw/zinc/04/59/34/765045934.db2.gz NGMAXZQNYXOYQB-XCVCLJGOSA-N 0 0 188.270 3.651 20 0 AHADRN C/C=C(\C)c1cc2[nH]ccc2c(F)c1 ZINC001242757880 765045906 /nfs/dbraw/zinc/04/59/06/765045906.db2.gz NSUACWMTESIYMG-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cc2cc[nH]c2cc1F ZINC001242757887 765045076 /nfs/dbraw/zinc/04/50/76/765045076.db2.gz NWMHMXBGKKVKEG-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1ccc2c(c1)C=CC2 ZINC001242757909 765046210 /nfs/dbraw/zinc/04/62/10/765046210.db2.gz NZTLZDZSJABOCC-XCVCLJGOSA-N 0 0 170.255 3.679 20 0 AHADRN C/C=C(\C)c1cc2cccnc2cc1C ZINC001242757913 765045086 /nfs/dbraw/zinc/04/50/86/765045086.db2.gz ODBDTZVIIGXLSO-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cccc2c1CC=C2 ZINC001242757914 765045898 /nfs/dbraw/zinc/04/58/98/765045898.db2.gz OFHQYZGXJXDZGJ-XCVCLJGOSA-N 0 0 170.255 3.679 20 0 AHADRN C/C=C(\C)c1cc(C)c(F)cc1F ZINC001242757933 765046977 /nfs/dbraw/zinc/04/69/77/765046977.db2.gz BVKFPLILQUFWMD-QPJJXVBHSA-N 0 0 182.213 3.696 20 0 AHADRN C/C=C(\C)c1ccc2oc(C)nc2c1 ZINC001242757938 765045323 /nfs/dbraw/zinc/04/53/23/765045323.db2.gz BYRWMCZTXRWLLR-XBXARRHUSA-N 0 0 187.242 3.559 20 0 AHADRN C=Cc1ccccc1/C(C)=C/C ZINC001242757940 765047530 /nfs/dbraw/zinc/04/75/30/765047530.db2.gz BZQLHJXKPQFTQJ-ONNFQVAWSA-N 0 0 158.244 3.753 20 0 AHADRN C/C=C(\C)c1ccc(CF)cc1 ZINC001242757946 765046297 /nfs/dbraw/zinc/04/62/97/765046297.db2.gz CAXAOLXEOHIBEI-YCRREMRBSA-N 0 0 164.223 3.579 20 0 AHADRN C/C=C(\C)c1ccc2ncsc2c1 ZINC001242757950 765046780 /nfs/dbraw/zinc/04/67/80/765046780.db2.gz CDRCWVGJLSMJFB-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1ccc(C)c2cccnc12 ZINC001242757952 765046572 /nfs/dbraw/zinc/04/65/72/765046572.db2.gz ORQCCYNECISCBH-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc(F)c(C)c1C ZINC001242757953 765047175 /nfs/dbraw/zinc/04/71/75/765047175.db2.gz OSVBFTWRYGWSDR-VMPITWQZSA-N 0 0 178.250 3.866 20 0 AHADRN C/C=C(\C)c1cc(C)cc2ncccc21 ZINC001242757959 765047223 /nfs/dbraw/zinc/04/72/23/765047223.db2.gz PBDWJXQYDUHUBK-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2cc[nH]c2c1 ZINC001242757981 765047030 /nfs/dbraw/zinc/04/70/30/765047030.db2.gz CTVQWEOHORTYIF-YCRREMRBSA-N 0 0 171.243 3.591 20 0 AHADRN C/C=C(\C)c1cnc(SC)c(C)c1 ZINC001242758024 765045554 /nfs/dbraw/zinc/04/55/54/765045554.db2.gz DUCMYSHZULDZFM-VMPITWQZSA-N 0 0 193.315 3.535 20 0 AHADRN C/C=C(\C)c1ccc(-c2ccno2)cc1 ZINC001242758056 765047797 /nfs/dbraw/zinc/04/77/97/765047797.db2.gz FRXZYJGTFDZYJW-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cc(F)ccc1SC ZINC001242758090 765047127 /nfs/dbraw/zinc/04/71/27/765047127.db2.gz PLHXPHKVXNUBKJ-XBXARRHUSA-N 0 0 196.290 3.971 20 0 AHADRN C/C=C(\C)c1cc(C)c2ncccc2c1 ZINC001242758100 765047273 /nfs/dbraw/zinc/04/72/73/765047273.db2.gz PZHMKHZTITYZSJ-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2c(C)ccnc2c1 ZINC001242758128 765046874 /nfs/dbraw/zinc/04/68/74/765046874.db2.gz QYQLHXJISCJVNF-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1c(C)cc(OC)cc1C ZINC001242758172 765045221 /nfs/dbraw/zinc/04/52/21/765045221.db2.gz HBROXUQAQCEDAB-RMKNXTFCSA-N 0 0 190.286 3.735 20 0 AHADRN C/C=C(\C)c1cccc(C(C)(C)C)n1 ZINC001242758179 765047141 /nfs/dbraw/zinc/04/71/41/765047141.db2.gz SIVVHNRMSGIKKD-UXBLZVDNSA-N 0 0 189.302 3.802 20 0 AHADRN C/C=C(\C)c1ccccc1CC ZINC001242758181 765046413 /nfs/dbraw/zinc/04/64/13/765046413.db2.gz HEXAGWCIDUQKFC-ONNFQVAWSA-N 0 0 160.260 3.672 20 0 AHADRN C/C=C(\C)c1cccc2nc(C)ccc21 ZINC001242758186 765046267 /nfs/dbraw/zinc/04/62/67/765046267.db2.gz SQQOXBWPZDBFBR-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cccc(C)c1F ZINC001242758215 765045329 /nfs/dbraw/zinc/04/53/29/765045329.db2.gz HJFDZMXEBPRLGP-XBXARRHUSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1ccccc1OC(C)C ZINC001242758216 765046307 /nfs/dbraw/zinc/04/63/07/765046307.db2.gz UMWMGANBXRUIPH-VZUCSPMQSA-N 0 0 190.286 3.897 20 0 AHADRN C/C=C(\C)c1ccc(C)c2ncccc12 ZINC001242758217 765047920 /nfs/dbraw/zinc/04/79/20/765047920.db2.gz UNCKNRPAMSPVCH-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc(OC(F)F)cc1 ZINC001242758226 765046923 /nfs/dbraw/zinc/04/69/23/765046923.db2.gz HMJYBKOJCZXANG-FPYGCLRLSA-N 0 0 198.212 3.711 20 0 AHADRN C/C=C(\C)c1cc(F)cc(F)c1F ZINC001242758230 765046639 /nfs/dbraw/zinc/04/66/39/765046639.db2.gz HROHRFVPZDJINF-ZZXKWVIFSA-N 0 0 186.176 3.527 20 0 AHADRN C/C=C(\C)c1ccc2scnc2c1 ZINC001242758231 765047320 /nfs/dbraw/zinc/04/73/20/765047320.db2.gz HSOSLZLAQMENGI-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cccc2c1CCC2 ZINC001242758234 765045110 /nfs/dbraw/zinc/04/51/10/765045110.db2.gz HZFDLRWRELQWTE-XCVCLJGOSA-N 0 0 172.271 3.599 20 0 AHADRN C/C=C(\C)c1ccccc1OC(F)F ZINC001242758246 765047329 /nfs/dbraw/zinc/04/73/29/765047329.db2.gz IQLWIDODAPFCAG-FPYGCLRLSA-N 0 0 198.212 3.711 20 0 AHADRN C/C=C(\C)c1cccc(-c2cnco2)c1 ZINC001242758291 765046564 /nfs/dbraw/zinc/04/65/64/765046564.db2.gz AASPKOLCRSCNDP-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cc(C)cc2cccnc21 ZINC001242758330 765045978 /nfs/dbraw/zinc/04/59/78/765045978.db2.gz BNHIVWQWIZMLLO-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc2ccoc2c1 ZINC001242758339 765045094 /nfs/dbraw/zinc/04/50/94/765045094.db2.gz BXGCMLPMJXEFGA-YCRREMRBSA-N 0 0 172.227 3.856 20 0 AHADRN C/C=C(\C)c1ccc(OCCC)cc1 ZINC001242758340 765046621 /nfs/dbraw/zinc/04/66/21/765046621.db2.gz BXNHLVDRNIHGEF-VZUCSPMQSA-N 0 0 190.286 3.899 20 0 AHADRN C/C=C(\C)c1ccc2c(ccn2C)c1 ZINC001242758350 765045614 /nfs/dbraw/zinc/04/56/14/765045614.db2.gz CNEUYBVDRUCQSZ-ONNFQVAWSA-N 0 0 185.270 3.602 20 0 AHADRN C/C=C(\C)c1ccc2csnc2c1 ZINC001242758364 765046990 /nfs/dbraw/zinc/04/69/90/765046990.db2.gz DIEQXVDLMAVILW-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cc(C)c(OC)c(C)c1 ZINC001242758382 765046316 /nfs/dbraw/zinc/04/63/16/765046316.db2.gz FHYFFEPHUUMWSN-RMKNXTFCSA-N 0 0 190.286 3.735 20 0 AHADRN C/C=C(\C)c1ccc2[nH]c(C)cc2c1 ZINC001242758401 765047070 /nfs/dbraw/zinc/04/70/70/765047070.db2.gz VJUTUABTLVFPQC-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1ccc(SC)cc1F ZINC001242758417 765046528 /nfs/dbraw/zinc/04/65/28/765046528.db2.gz WAKQSPITRFPMGB-XBXARRHUSA-N 0 0 196.290 3.971 20 0 AHADRN C/C=C(\C)c1ccc(C(C)C)nc1 ZINC001242758420 765047003 /nfs/dbraw/zinc/04/70/03/765047003.db2.gz WDTYQEFKNKBTGM-BJMVGYQFSA-N 0 0 175.275 3.628 20 0 AHADRN C/C=C(\C)c1ccc(C)c2cc[nH]c21 ZINC001242758435 765045702 /nfs/dbraw/zinc/04/57/02/765045702.db2.gz WWXIUEYGNPNIDO-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1cc(C)c(F)c(F)c1 ZINC001242758456 765045411 /nfs/dbraw/zinc/04/54/11/765045411.db2.gz XSSPFJHQNHCCJX-QPJJXVBHSA-N 0 0 182.213 3.696 20 0 AHADRN C=Cc1cccc(/C(C)=C/C)c1 ZINC001242758457 765047000 /nfs/dbraw/zinc/04/70/00/765047000.db2.gz LEAPZPLONQKCIH-ONNFQVAWSA-N 0 0 158.244 3.753 20 0 AHADRN C/C=C(\C)c1ccc(F)c2[nH]ccc21 ZINC001242758458 765046475 /nfs/dbraw/zinc/04/64/75/765046475.db2.gz LENJMGXMKFMVCV-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1ccc(F)cc1C ZINC001242758480 765045288 /nfs/dbraw/zinc/04/52/88/765045288.db2.gz LUNPLRRFJYKYPF-XBXARRHUSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1c2cc[nH]c2ccc1C ZINC001242758482 765047731 /nfs/dbraw/zinc/04/77/31/765047731.db2.gz LVKRLHLMAXGKIJ-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1cc(C)cc2[nH]ccc21 ZINC001242758497 765046668 /nfs/dbraw/zinc/04/66/68/765046668.db2.gz YOTZYFPGTFTNDX-ONNFQVAWSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1ccc(SC)c(F)c1 ZINC001242758499 765045128 /nfs/dbraw/zinc/04/51/28/765045128.db2.gz YPENAPCDVQPWMJ-XBXARRHUSA-N 0 0 196.290 3.971 20 0 AHADRN C/C=C(\C)c1ccc2[nH]ccc2c1F ZINC001242758505 765050071 /nfs/dbraw/zinc/05/00/71/765050071.db2.gz MKIZDSFKVPAXFD-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cccc2cc[nH]c21 ZINC001242758518 765051220 /nfs/dbraw/zinc/05/12/20/765051220.db2.gz MSFGTHYCSUIGPL-YCRREMRBSA-N 0 0 171.243 3.591 20 0 AHADRN C/C=C(\C)c1cccc2occc21 ZINC001242758525 765048925 /nfs/dbraw/zinc/04/89/25/765048925.db2.gz ZDNILLWQHPWQOM-YCRREMRBSA-N 0 0 172.227 3.856 20 0 AHADRN C/C=C(\C)c1c(F)cc(F)cc1F ZINC001242758529 765050372 /nfs/dbraw/zinc/05/03/72/765050372.db2.gz MWNLQOVNCTWILH-ZZXKWVIFSA-N 0 0 186.176 3.527 20 0 AHADRN C/C=C(\C)c1ccc(-c2cnco2)cc1 ZINC001242758539 765051354 /nfs/dbraw/zinc/05/13/54/765051354.db2.gz NLWYMKHBGIVVCB-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cc(C2CC2)cnc1F ZINC001242758558 765048960 /nfs/dbraw/zinc/04/89/60/765048960.db2.gz OMKDOEYRSAPOSP-FPYGCLRLSA-N 0 0 191.249 3.521 20 0 AHADRN C/C=C(\C)c1ccc(OC)c(C)c1C ZINC001242758574 765048563 /nfs/dbraw/zinc/04/85/63/765048563.db2.gz OTNGYRAAMLONPH-RMKNXTFCSA-N 0 0 190.286 3.735 20 0 AHADRN C/C=C(\C)c1c(C)cc(F)cc1C ZINC001242758575 765050581 /nfs/dbraw/zinc/05/05/81/765050581.db2.gz OTOYJEABCQDECO-VMPITWQZSA-N 0 0 178.250 3.866 20 0 AHADRN C/C=C(\C)c1cccc(SC)c1 ZINC001242758577 765049194 /nfs/dbraw/zinc/04/91/94/765049194.db2.gz OUHUQFOSNHWONV-RUDMXATFSA-N 0 0 178.300 3.832 20 0 AHADRN C/C=C(\C)c1cc(F)c(F)c(F)c1 ZINC001242758582 765050424 /nfs/dbraw/zinc/05/04/24/765050424.db2.gz OYPRESUFXCLIEV-ZZXKWVIFSA-N 0 0 186.176 3.527 20 0 AHADRN C/C=C(\C)c1cccc(OC(F)F)c1 ZINC001242758585 765050252 /nfs/dbraw/zinc/05/02/52/765050252.db2.gz PCGILAVSRJZLKO-FPYGCLRLSA-N 0 0 198.212 3.711 20 0 AHADRN C/C=C(\C)c1cc(F)ncc1C1CC1 ZINC001242758596 765050085 /nfs/dbraw/zinc/05/00/85/765050085.db2.gz POSZVKUQZZBWTA-FPYGCLRLSA-N 0 0 191.249 3.521 20 0 AHADRN C/C=C(\C)c1ccc2nc(C)oc2c1 ZINC001242758682 765051261 /nfs/dbraw/zinc/05/12/61/765051261.db2.gz FURRKFOEHZEACA-XBXARRHUSA-N 0 0 187.242 3.559 20 0 AHADRN C=Cc1ccc(F)cc1/C(C)=C/C ZINC001242758689 765049495 /nfs/dbraw/zinc/04/94/95/765049495.db2.gz GHWZIZZEMOUOMV-RUDMXATFSA-N 0 0 176.234 3.892 20 0 AHADRN C/C=C(\C)c1ccc(OCC)c(C)c1 ZINC001242758697 765049834 /nfs/dbraw/zinc/04/98/34/765049834.db2.gz GPTNEDHIIUUIMX-BJMVGYQFSA-N 0 0 190.286 3.817 20 0 AHADRN C/C=C(\C)c1cccc2cnccc21 ZINC001242758716 765051252 /nfs/dbraw/zinc/05/12/52/765051252.db2.gz QFTDGPYGZGDLOH-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc(F)c2cc[nH]c21 ZINC001242758722 765049700 /nfs/dbraw/zinc/04/97/00/765049700.db2.gz QMBVMBBOSNITKW-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cccc(C2CC2)c1 ZINC001242758727 765050348 /nfs/dbraw/zinc/05/03/48/765050348.db2.gz QPHVYNAPWBKHLJ-XCVCLJGOSA-N 0 0 172.271 3.987 20 0 AHADRN C/C=C(\C)c1cc2cc[nH]c2c(F)c1 ZINC001242758735 765048377 /nfs/dbraw/zinc/04/83/77/765048377.db2.gz RINHTBNWONGYOH-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cc(F)cc2cc[nH]c21 ZINC001242758743 765050445 /nfs/dbraw/zinc/05/04/45/765050445.db2.gz RUFOLUDULWCEJJ-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cccc(-n2cccc2)c1 ZINC001242758745 765049129 /nfs/dbraw/zinc/04/91/29/765049129.db2.gz RWTMUOUXUKYUGN-KGVSQERTSA-N 0 0 197.281 3.901 20 0 AHADRN C/C=C(\C)c1cc2[nH]ccc2cc1F ZINC001242758752 765049355 /nfs/dbraw/zinc/04/93/55/765049355.db2.gz SBOZCAURRBPORJ-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1cc(F)c(F)cc1C ZINC001242758755 765049714 /nfs/dbraw/zinc/04/97/14/765049714.db2.gz HPJNZSFSTLTHNK-QPJJXVBHSA-N 0 0 182.213 3.696 20 0 AHADRN C/C=C(\C)c1c(C)ccc2cccnc21 ZINC001242758759 765051144 /nfs/dbraw/zinc/05/11/44/765051144.db2.gz HTWGGNUVSGBBDH-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc(-n2cccc2)cc1 ZINC001242758763 765048686 /nfs/dbraw/zinc/04/86/86/765048686.db2.gz SEUDFQXTCLWFLR-KGVSQERTSA-N 0 0 197.281 3.901 20 0 AHADRN C/C=C(\C)c1ccc2nscc2c1 ZINC001242758826 765050740 /nfs/dbraw/zinc/05/07/40/765050740.db2.gz ISMKZZCDGTWATB-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cc(F)ccc1C ZINC001242758836 765050266 /nfs/dbraw/zinc/05/02/66/765050266.db2.gz VRTYHWKFRUDZOF-XBXARRHUSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1cc(F)cc2[nH]ccc21 ZINC001242758837 765048847 /nfs/dbraw/zinc/04/88/47/765048847.db2.gz ITPHGDVOHLMWNJ-FPYGCLRLSA-N 0 0 189.233 3.730 20 0 AHADRN C/C=C(\C)c1ccc(-c2ccon2)cc1 ZINC001242758880 765051321 /nfs/dbraw/zinc/05/13/21/765051321.db2.gz VUEQMFXZTGIIIG-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cccc2ccncc21 ZINC001242758889 765050481 /nfs/dbraw/zinc/05/04/81/765050481.db2.gz WBYJRZWXSXJXDA-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccccc1-c1cnco1 ZINC001242758893 765051096 /nfs/dbraw/zinc/05/10/96/765051096.db2.gz WQQPPVLKGACCCT-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cccc(F)c1C ZINC001242758915 765049162 /nfs/dbraw/zinc/04/91/62/765049162.db2.gz XUPATTHSOUVKRI-XBXARRHUSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1ccc(OC)cc1CC ZINC001242758922 765050091 /nfs/dbraw/zinc/05/00/91/765050091.db2.gz YCQLYTTXHLPBMR-BJMVGYQFSA-N 0 0 190.286 3.681 20 0 AHADRN C/C=C(\C)c1ccccc1SC ZINC001242758923 765049056 /nfs/dbraw/zinc/04/90/56/765049056.db2.gz YEZKNYVZZGDADV-RUDMXATFSA-N 0 0 178.300 3.832 20 0 AHADRN C/C=C(\C)c1cccc2[nH]ccc21 ZINC001242758935 765051242 /nfs/dbraw/zinc/05/12/42/765051242.db2.gz YMWKJICAMFIWEY-YCRREMRBSA-N 0 0 171.243 3.591 20 0 AHADRN C/C=C(\C)c1cncc2ccccc21 ZINC001242758944 765049655 /nfs/dbraw/zinc/04/96/55/765049655.db2.gz YZBVAZSUMSDZDX-XCVCLJGOSA-N 0 0 183.254 3.658 20 0 AHADRN C/C=C(\C)c1ccc(C)cc1F ZINC001242758987 765051375 /nfs/dbraw/zinc/05/13/75/765051375.db2.gz ZWWFQCLQOYNUMS-RUDMXATFSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1c(C)cccc1F ZINC001242759017 765051509 /nfs/dbraw/zinc/05/15/09/765051509.db2.gz LSQNXLLPCLVKRH-XBXARRHUSA-N 0 0 164.223 3.557 20 0 AHADRN C/C=C(\C)c1ccc2c(c1)CCC2 ZINC001242759040 765049347 /nfs/dbraw/zinc/04/93/47/765049347.db2.gz NIPVMYUTHSFLDR-XCVCLJGOSA-N 0 0 172.271 3.599 20 0 AHADRN C/C=C(\C)c1cccc2ccoc21 ZINC001242759042 765050354 /nfs/dbraw/zinc/05/03/54/765050354.db2.gz NKHWLTLJEPHEHG-YCRREMRBSA-N 0 0 172.227 3.856 20 0 AHADRN C/C=C(\C)c1ccc(F)c2ccoc21 ZINC001242759043 765048587 /nfs/dbraw/zinc/04/85/87/765048587.db2.gz NSDWHFHDYPARAW-FPYGCLRLSA-N 0 0 190.217 3.995 20 0 AHADRN C/C=C(\C)c1cccc(OCC)c1 ZINC001242759044 765049019 /nfs/dbraw/zinc/04/90/19/765049019.db2.gz NSUITYHWBLBMDF-ONNFQVAWSA-N 0 0 176.259 3.509 20 0 AHADRN C/C=C(\C)c1ccc(-c2ncco2)cc1 ZINC001242759066 765049847 /nfs/dbraw/zinc/04/98/47/765049847.db2.gz ORZRMZCFHKAZCB-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cc(C)nc2ccccc21 ZINC001242759068 765048444 /nfs/dbraw/zinc/04/84/44/765048444.db2.gz OTJAANCETFVMOU-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cccc(-c2ncco2)c1 ZINC001242759086 765048435 /nfs/dbraw/zinc/04/84/35/765048435.db2.gz PRPYMMGGASDUSE-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1cccc2cncc(C)c21 ZINC001242759105 765049563 /nfs/dbraw/zinc/04/95/63/765049563.db2.gz QSUIYDZFCBLOAX-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc(C2CC2)cc1 ZINC001242759106 765048900 /nfs/dbraw/zinc/04/89/00/765048900.db2.gz QUQKLRRYYCLMOD-XCVCLJGOSA-N 0 0 172.271 3.987 20 0 AHADRN C/C=C(\C)c1ccc2c(C)c[nH]c2c1 ZINC001242759130 765049341 /nfs/dbraw/zinc/04/93/41/765049341.db2.gz RPDVVLKKWXMVFB-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1cccc(CC)c1 ZINC001242759138 765050357 /nfs/dbraw/zinc/05/03/57/765050357.db2.gz SAIJSYXYBFLDPP-ONNFQVAWSA-N 0 0 160.260 3.672 20 0 AHADRN C/C=C(\C)c1cc(F)c(C)c(F)c1 ZINC001242759143 765049030 /nfs/dbraw/zinc/04/90/30/765049030.db2.gz SIQRRIZECKSJFG-QPJJXVBHSA-N 0 0 182.213 3.696 20 0 AHADRN C/C=C(\C)c1cncc2ccc(C)cc21 ZINC001242759150 765049121 /nfs/dbraw/zinc/04/91/21/765049121.db2.gz SOSSIEKNCUZEMC-NYYWCZLTSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cc2[nH]ccc2cc1C ZINC001242759162 765049075 /nfs/dbraw/zinc/04/90/75/765049075.db2.gz TXNXTJNPXYIQNT-RUDMXATFSA-N 0 0 185.270 3.900 20 0 AHADRN C/C=C(\C)c1ccccc1-c1ncco1 ZINC001242759163 765050153 /nfs/dbraw/zinc/05/01/53/765050153.db2.gz TYWWFMRGJKNPRR-XCVCLJGOSA-N 0 0 199.253 3.765 20 0 AHADRN C/C=C(\C)c1ccc2cccnc2c1C ZINC001242759166 765049289 /nfs/dbraw/zinc/04/92/89/765049289.db2.gz UEWDNJUTCOSAPJ-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1ccc(F)c(F)c1F ZINC001242759177 765050396 /nfs/dbraw/zinc/05/03/96/765050396.db2.gz UPZDZVJVVDLIMC-ZZXKWVIFSA-N 0 0 186.176 3.527 20 0 AHADRN C/C=C(\C)c1ccc(C)c(OCC)c1 ZINC001242759182 765049257 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194.249 3.648 20 0 AHADRN C/C=C(\C)c1cccc2nc(C)oc21 ZINC001242760376 765052909 /nfs/dbraw/zinc/05/29/09/765052909.db2.gz PJAILVBTBMMQRO-XBXARRHUSA-N 0 0 187.242 3.559 20 0 AHADRN C/C=C(\C)c1ccc2cnsc2c1 ZINC001242760381 765053156 /nfs/dbraw/zinc/05/31/56/765053156.db2.gz PPBNADCTBYIRCF-FPYGCLRLSA-N 0 0 189.283 3.720 20 0 AHADRN C/C=C(\C)c1cccc(OCCC)c1 ZINC001242760507 765053001 /nfs/dbraw/zinc/05/30/01/765053001.db2.gz QXMMHYLFHJASEL-VZUCSPMQSA-N 0 0 190.286 3.899 20 0 AHADRN C/C=C(\C)c1ccnc2c(C)cccc12 ZINC001242760515 765054286 /nfs/dbraw/zinc/05/42/86/765054286.db2.gz RKOLZJVMBAUTOM-ONNFQVAWSA-N 0 0 197.281 3.966 20 0 AHADRN C/C=C(\C)c1cc(CC)ccc1F ZINC001242760541 765052266 /nfs/dbraw/zinc/05/22/66/765052266.db2.gz SLOQATVWABPHLV-RUDMXATFSA-N 0 0 178.250 3.811 20 0 AHADRN C/C=C(\C)c1cccc2c1cc(C)n2C ZINC001242760626 765052370 /nfs/dbraw/zinc/05/23/70/765052370.db2.gz WQXUBDPNALAYHK-BJMVGYQFSA-N 0 0 199.297 3.910 20 0 AHADRN C/C=C(\C)c1ccc(COCC)cc1 ZINC001242760756 765052363 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ZINC001249861113 765355102 /nfs/dbraw/zinc/35/51/02/765355102.db2.gz IFMSFWCKOOTFGY-VIFPVBQESA-N 0 0 178.275 3.517 20 0 AHADRN CC[C@@H](C)c1ccsc1C ZINC001249861114 765354871 /nfs/dbraw/zinc/35/48/71/765354871.db2.gz IFRCAZZHGKFWLJ-SSDOTTSWSA-N 0 0 154.278 3.570 20 0 AHADRN CC[C@H](C)c1ccsc1C ZINC001249861118 765356501 /nfs/dbraw/zinc/35/65/01/765356501.db2.gz IFRCAZZHGKFWLJ-ZETCQYMHSA-N 0 0 154.278 3.570 20 0 AHADRN CCOc1ccc(C)cc1[C@H](C)CC ZINC001249861120 765356570 /nfs/dbraw/zinc/35/65/70/765356570.db2.gz IIODEXVYSCGZAT-LLVKDONJSA-N 0 0 192.302 3.907 20 0 AHADRN CCOc1ccc(C)cc1[C@@H](C)CC ZINC001249861122 765355875 /nfs/dbraw/zinc/35/58/75/765355875.db2.gz IIODEXVYSCGZAT-NSHDSACASA-N 0 0 192.302 3.907 20 0 AHADRN CC[C@@H](C)c1ccc(C(C)=O)c(F)c1 ZINC001249861125 765355678 /nfs/dbraw/zinc/35/56/78/765355678.db2.gz IRSFYCOLMXDZNZ-MRVPVSSYSA-N 0 0 194.249 3.542 20 0 AHADRN CC[C@H](C)c1ccc(C(C)=O)c(F)c1 ZINC001249861133 765356422 /nfs/dbraw/zinc/35/64/22/765356422.db2.gz IRSFYCOLMXDZNZ-QMMMGPOBSA-N 0 0 194.249 3.542 20 0 AHADRN Cc1cc(F)cc(Cl)c1C(C)C ZINC001249861136 765355537 /nfs/dbraw/zinc/35/55/37/765355537.db2.gz JDSRBPCNDUOELD-UHFFFAOYSA-N 0 0 186.657 3.911 20 0 AHADRN CC[C@@H](C)c1cccc(OC(C)C)c1 ZINC001249861216 765356845 /nfs/dbraw/zinc/35/68/45/765356845.db2.gz KQAJAMOIKNXXPM-LLVKDONJSA-N 0 0 192.302 3.987 20 0 AHADRN CC[C@H](C)c1cccc(OC(C)C)c1 ZINC001249861217 765354905 /nfs/dbraw/zinc/35/49/05/765354905.db2.gz KQAJAMOIKNXXPM-NSHDSACASA-N 0 0 192.302 3.987 20 0 AHADRN CC[C@@H](C)c1cc(C)c(OC)cc1C ZINC001249861410 765356670 /nfs/dbraw/zinc/35/66/70/765356670.db2.gz NVWBWJUVNDZTFM-SECBINFHSA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@H](C)c1cc(C)c(OC)cc1C ZINC001249861411 765354754 /nfs/dbraw/zinc/35/47/54/765354754.db2.gz NVWBWJUVNDZTFM-VIFPVBQESA-N 0 0 192.302 3.826 20 0 AHADRN CCOc1cccc(F)c1[C@H](C)CC ZINC001249861413 765357634 /nfs/dbraw/zinc/35/76/34/765357634.db2.gz NXSGPHOOKAJQHX-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1cccc(F)c1[C@@H](C)CC ZINC001249861414 765357491 /nfs/dbraw/zinc/35/74/91/765357491.db2.gz NXSGPHOOKAJQHX-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC(C)c1ccc(Cl)c(F)c1F ZINC001249861428 765356726 /nfs/dbraw/zinc/35/67/26/765356726.db2.gz OFRDGVPZACHGFN-UHFFFAOYSA-N 0 0 190.620 3.742 20 0 AHADRN CC[C@@H](C)c1cc(C(C)=O)ccc1F ZINC001249861433 765355563 /nfs/dbraw/zinc/35/55/63/765355563.db2.gz OMDYWMBKHGWFPV-MRVPVSSYSA-N 0 0 194.249 3.542 20 0 AHADRN CC[C@H](C)c1cc(C(C)=O)ccc1F ZINC001249861434 765355984 /nfs/dbraw/zinc/35/59/84/765355984.db2.gz OMDYWMBKHGWFPV-QMMMGPOBSA-N 0 0 194.249 3.542 20 0 AHADRN CC[C@H](C)c1c(F)ccc(F)c1F ZINC001249861436 765356287 /nfs/dbraw/zinc/35/62/87/765356287.db2.gz OUMVGRDJINRSQK-LURJTMIESA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@@H](C)c1c(F)ccc(F)c1F ZINC001249861437 765355252 /nfs/dbraw/zinc/35/52/52/765355252.db2.gz OUMVGRDJINRSQK-ZCFIWIBFSA-N 0 0 188.192 3.617 20 0 AHADRN CCOc1cc(F)cc([C@H](C)CC)c1 ZINC001249861445 765357844 /nfs/dbraw/zinc/35/78/44/765357844.db2.gz PQJWWMYCJVASLN-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1cc(F)cc([C@@H](C)CC)c1 ZINC001249861446 765357008 /nfs/dbraw/zinc/35/70/08/765357008.db2.gz PQJWWMYCJVASLN-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@H](C)c1ccc(F)c(F)c1F ZINC001249861454 765354855 /nfs/dbraw/zinc/35/48/55/765354855.db2.gz QFYYDWRCNDWIHC-LURJTMIESA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@@H](C)c1ccc(F)c(F)c1F ZINC001249861455 765356759 /nfs/dbraw/zinc/35/67/59/765356759.db2.gz QFYYDWRCNDWIHC-ZCFIWIBFSA-N 0 0 188.192 3.617 20 0 AHADRN CCOc1ccc(C)c(C(C)C)c1 ZINC001249861457 765355758 /nfs/dbraw/zinc/35/57/58/765355758.db2.gz QGJRQIIAMJRMEO-UHFFFAOYSA-N 0 0 178.275 3.517 20 0 AHADRN CCOc1ccc([C@H](C)CC)c(F)c1 ZINC001249861522 765356485 /nfs/dbraw/zinc/35/64/85/765356485.db2.gz SEYAAVNKOZZQRI-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1ccc([C@@H](C)CC)c(F)c1 ZINC001249861523 765355078 /nfs/dbraw/zinc/35/50/78/765355078.db2.gz SEYAAVNKOZZQRI-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC(C)c1c(Cl)ccnc1Cl ZINC001249861588 765355197 /nfs/dbraw/zinc/35/51/97/765355197.db2.gz UIWQZRFBMKDSHV-UHFFFAOYSA-N 0 0 190.073 3.512 20 0 AHADRN CCOc1cc([C@H](C)CC)ccc1F ZINC001249861605 765355470 /nfs/dbraw/zinc/35/54/70/765355470.db2.gz UXGKECRBTBOHPM-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1cc([C@@H](C)CC)ccc1F ZINC001249861606 765354675 /nfs/dbraw/zinc/35/46/75/765354675.db2.gz UXGKECRBTBOHPM-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@@H](C)c1cc(C)cc(F)c1 ZINC001249861673 765357781 /nfs/dbraw/zinc/35/77/81/765357781.db2.gz XAUNYSIRKMSCKI-SECBINFHSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@H](C)c1cc(C)cc(F)c1 ZINC001249861674 765357327 /nfs/dbraw/zinc/35/73/27/765357327.db2.gz XAUNYSIRKMSCKI-VIFPVBQESA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@@H](C)c1cc(C)sc1C ZINC001249861675 765356165 /nfs/dbraw/zinc/35/61/65/765356165.db2.gz XDCAHWNLSLJYRZ-SSDOTTSWSA-N 0 0 168.305 3.878 20 0 AHADRN CC[C@H](C)c1cc(C)sc1C ZINC001249861676 765355317 /nfs/dbraw/zinc/35/53/17/765355317.db2.gz XDCAHWNLSLJYRZ-ZETCQYMHSA-N 0 0 168.305 3.878 20 0 AHADRN CSc1ccc(F)c(C)c1C(C)C ZINC001249861693 765356387 /nfs/dbraw/zinc/35/63/87/765356387.db2.gz XKQVVIKWXBSZML-UHFFFAOYSA-N 0 0 198.306 3.979 20 0 AHADRN CCOc1cccc([C@H](C)CC)c1F ZINC001249861702 765355487 /nfs/dbraw/zinc/35/54/87/765355487.db2.gz XPVKUSMUCTUSPE-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1cccc([C@@H](C)CC)c1F ZINC001249861706 765355289 /nfs/dbraw/zinc/35/52/89/765355289.db2.gz XPVKUSMUCTUSPE-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1ccc(F)cc1[C@H](C)CC ZINC001249861714 765356522 /nfs/dbraw/zinc/35/65/22/765356522.db2.gz XWCFPUCRWAGCQJ-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1ccc(F)cc1[C@@H](C)CC ZINC001249861715 765355140 /nfs/dbraw/zinc/35/51/40/765355140.db2.gz XWCFPUCRWAGCQJ-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@@H](C)c1cc(C)ccc1F ZINC001249861741 765357164 /nfs/dbraw/zinc/35/71/64/765357164.db2.gz YRQMFKRDMHBXPM-SECBINFHSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@H](C)c1cc(C)ccc1F ZINC001249861742 765356265 /nfs/dbraw/zinc/35/62/65/765356265.db2.gz YRQMFKRDMHBXPM-VIFPVBQESA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@H](C)c1cc(F)c(F)cc1F ZINC001249861765 765354821 /nfs/dbraw/zinc/35/48/21/765354821.db2.gz ZHNUPAMWKDPTQQ-LURJTMIESA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@@H](C)c1cc(F)c(F)cc1F ZINC001249861770 765356379 /nfs/dbraw/zinc/35/63/79/765356379.db2.gz ZHNUPAMWKDPTQQ-ZCFIWIBFSA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@@H](C)c1cccc(F)c1C ZINC001249861771 765355303 /nfs/dbraw/zinc/35/53/03/765355303.db2.gz ZHYGXAIKORSUAD-MRVPVSSYSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@H](C)c1cccc(F)c1C ZINC001249861772 765356186 /nfs/dbraw/zinc/35/61/86/765356186.db2.gz ZHYGXAIKORSUAD-QMMMGPOBSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@@H](C)c1cccc(SC)c1 ZINC001249861773 765357313 /nfs/dbraw/zinc/35/73/13/765357313.db2.gz ZMJBAANNKQCEMV-SECBINFHSA-N 0 0 180.316 3.922 20 0 AHADRN CC[C@H](C)c1cccc(SC)c1 ZINC001249861774 765357763 /nfs/dbraw/zinc/35/77/63/765357763.db2.gz ZMJBAANNKQCEMV-VIFPVBQESA-N 0 0 180.316 3.922 20 0 AHADRN CC[C@@H](C)c1c2cc[nH]c2ccc1F ZINC001249862176 765356612 /nfs/dbraw/zinc/35/66/12/765356612.db2.gz BDIINFBMOXKQHK-MRVPVSSYSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@H](C)c1c2cc[nH]c2ccc1F ZINC001249862179 765355934 /nfs/dbraw/zinc/35/59/34/765355934.db2.gz BDIINFBMOXKQHK-QMMMGPOBSA-N 0 0 191.249 3.821 20 0 AHADRN CCc1cc(OC)ccc1[C@@H](C)CC ZINC001249862255 765361770 /nfs/dbraw/zinc/36/17/70/765361770.db2.gz CLKJTMMEPUBFNI-JTQLQIEISA-N 0 0 192.302 3.771 20 0 AHADRN CCc1cc(OC)ccc1[C@H](C)CC ZINC001249862256 765360843 /nfs/dbraw/zinc/36/08/43/765360843.db2.gz CLKJTMMEPUBFNI-SNVBAGLBSA-N 0 0 192.302 3.771 20 0 AHADRN CC[C@@H](C)c1cc(O)cc(Cl)c1 ZINC001249862275 765359573 /nfs/dbraw/zinc/35/95/73/765359573.db2.gz DLEFRWNLPKAABT-SSDOTTSWSA-N 0 0 184.666 3.559 20 0 AHADRN CC[C@H](C)c1cc(O)cc(Cl)c1 ZINC001249862276 765358601 /nfs/dbraw/zinc/35/86/01/765358601.db2.gz DLEFRWNLPKAABT-ZETCQYMHSA-N 0 0 184.666 3.559 20 0 AHADRN CC[C@H](C)c1ccn(C(C)C)c1 ZINC001249862285 765359920 /nfs/dbraw/zinc/35/99/20/765359920.db2.gz DWNHEYUWWVNNFU-JTQLQIEISA-N 0 0 165.280 3.583 20 0 AHADRN CC[C@@H](C)c1ccn(C(C)C)c1 ZINC001249862290 765361635 /nfs/dbraw/zinc/36/16/35/765361635.db2.gz DWNHEYUWWVNNFU-SNVBAGLBSA-N 0 0 165.280 3.583 20 0 AHADRN CC[C@@H](C)c1cccc(F)c1Cl ZINC001249862337 765359399 /nfs/dbraw/zinc/35/93/99/765359399.db2.gz FUFSJLBUPXUMJU-SSDOTTSWSA-N 0 0 186.657 3.993 20 0 AHADRN CC[C@H](C)c1cccc(F)c1Cl ZINC001249862342 765360641 /nfs/dbraw/zinc/36/06/41/765360641.db2.gz FUFSJLBUPXUMJU-ZETCQYMHSA-N 0 0 186.657 3.993 20 0 AHADRN CCOc1ccc(F)c([C@H](C)CC)c1 ZINC001249862560 765360088 /nfs/dbraw/zinc/36/00/88/765360088.db2.gz IGUOZVGVISNQNW-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1ccc(F)c([C@@H](C)CC)c1 ZINC001249862561 765361304 /nfs/dbraw/zinc/36/13/04/765361304.db2.gz IGUOZVGVISNQNW-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@H](C)c1cccc2c1ccn2C ZINC001249862565 765360961 /nfs/dbraw/zinc/36/09/61/765360961.db2.gz ILSGVOFCFSAFKG-JTQLQIEISA-N 0 0 187.286 3.692 20 0 AHADRN CC[C@@H](C)c1cccc2c1ccn2C ZINC001249862568 765360264 /nfs/dbraw/zinc/36/02/64/765360264.db2.gz ILSGVOFCFSAFKG-SNVBAGLBSA-N 0 0 187.286 3.692 20 0 AHADRN CCOc1cc(F)ccc1[C@H](C)CC ZINC001249862593 765358554 /nfs/dbraw/zinc/35/85/54/765358554.db2.gz IMRSWXWIRFOATD-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1cc(F)ccc1[C@@H](C)CC ZINC001249862595 765360563 /nfs/dbraw/zinc/36/05/63/765360563.db2.gz IMRSWXWIRFOATD-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@@H](C)c1cccc(C)c1F ZINC001249862641 765358742 /nfs/dbraw/zinc/35/87/42/765358742.db2.gz JIVHWFXMHLUHIV-MRVPVSSYSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@H](C)c1cccc(C)c1F ZINC001249862642 765359674 /nfs/dbraw/zinc/35/96/74/765359674.db2.gz JIVHWFXMHLUHIV-QMMMGPOBSA-N 0 0 166.239 3.648 20 0 AHADRN CC[C@@H](C)c1ccc2scnc2c1 ZINC001249862660 765359075 /nfs/dbraw/zinc/35/90/75/765359075.db2.gz JKUHXMSJYMAFIS-MRVPVSSYSA-N 0 0 191.299 3.810 20 0 AHADRN CC[C@H](C)c1ccc2scnc2c1 ZINC001249862663 765360021 /nfs/dbraw/zinc/36/00/21/765360021.db2.gz JKUHXMSJYMAFIS-QMMMGPOBSA-N 0 0 191.299 3.810 20 0 AHADRN CC[C@@H](C)c1cccc(OC)c1Cl ZINC001249862679 765358848 /nfs/dbraw/zinc/35/88/48/765358848.db2.gz JQQDCRJKNDDFPI-MRVPVSSYSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@H](C)c1cccc(OC)c1Cl ZINC001249862680 765359210 /nfs/dbraw/zinc/35/92/10/765359210.db2.gz JQQDCRJKNDDFPI-QMMMGPOBSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@H](C)c1cc(F)cc(F)c1F ZINC001249862686 765361283 /nfs/dbraw/zinc/36/12/83/765361283.db2.gz JUBWJBXMCCRMRF-LURJTMIESA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@@H](C)c1cc(F)cc(F)c1F ZINC001249862688 765360856 /nfs/dbraw/zinc/36/08/56/765360856.db2.gz JUBWJBXMCCRMRF-ZCFIWIBFSA-N 0 0 188.192 3.617 20 0 AHADRN CC[C@H](C)c1cccc2ccncc21 ZINC001249862708 765360617 /nfs/dbraw/zinc/36/06/17/765360617.db2.gz JZFZGWJCRSAVEI-JTQLQIEISA-N 0 0 185.270 3.748 20 0 AHADRN CC[C@@H](C)c1cccc2ccncc21 ZINC001249862719 765360035 /nfs/dbraw/zinc/36/00/35/765360035.db2.gz JZFZGWJCRSAVEI-SNVBAGLBSA-N 0 0 185.270 3.748 20 0 AHADRN CC[C@@H](C)c1cccc(O)c1Cl ZINC001249862787 765359177 /nfs/dbraw/zinc/35/91/77/765359177.db2.gz LAYSGDUPCQCWTB-SSDOTTSWSA-N 0 0 184.666 3.559 20 0 AHADRN CC[C@H](C)c1cccc(O)c1Cl ZINC001249862788 765360344 /nfs/dbraw/zinc/36/03/44/765360344.db2.gz LAYSGDUPCQCWTB-ZETCQYMHSA-N 0 0 184.666 3.559 20 0 AHADRN CC[C@@H](C)c1cccc(Cl)c1F ZINC001249862938 765360301 /nfs/dbraw/zinc/36/03/01/765360301.db2.gz LXQSTPVFZJDPFA-SSDOTTSWSA-N 0 0 186.657 3.993 20 0 AHADRN CC[C@H](C)c1cccc(Cl)c1F ZINC001249862939 765359021 /nfs/dbraw/zinc/35/90/21/765359021.db2.gz LXQSTPVFZJDPFA-ZETCQYMHSA-N 0 0 186.657 3.993 20 0 AHADRN CC[C@@H](C)c1cccc([C@@H](C)OC)c1 ZINC001249863014 765361527 /nfs/dbraw/zinc/36/15/27/765361527.db2.gz NKOVARWUFCMOEZ-GHMZBOCLSA-N 0 0 192.302 3.908 20 0 AHADRN CC[C@@H](C)c1cccc([C@H](C)OC)c1 ZINC001249863015 765359426 /nfs/dbraw/zinc/35/94/26/765359426.db2.gz NKOVARWUFCMOEZ-MNOVXSKESA-N 0 0 192.302 3.908 20 0 AHADRN CC[C@H](C)c1cccc([C@H](C)OC)c1 ZINC001249863016 765358515 /nfs/dbraw/zinc/35/85/15/765358515.db2.gz NKOVARWUFCMOEZ-QWRGUYRKSA-N 0 0 192.302 3.908 20 0 AHADRN CC[C@H](C)c1cccc([C@@H](C)OC)c1 ZINC001249863017 765360656 /nfs/dbraw/zinc/36/06/56/765360656.db2.gz NKOVARWUFCMOEZ-WDEREUQCSA-N 0 0 192.302 3.908 20 0 AHADRN CC[C@@H](C)c1cc(Cl)cc(OC)c1 ZINC001249863268 765358817 /nfs/dbraw/zinc/35/88/17/765358817.db2.gz QIIKIASQJHFFTR-MRVPVSSYSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@H](C)c1cc(Cl)cc(OC)c1 ZINC001249863270 765360289 /nfs/dbraw/zinc/36/02/89/765360289.db2.gz QIIKIASQJHFFTR-QMMMGPOBSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@@H](C)C1=CCC(F)(F)CC1 ZINC001249863427 765360646 /nfs/dbraw/zinc/36/06/46/765360646.db2.gz SEDDBTDVOIRRKE-MRVPVSSYSA-N 0 0 174.234 3.778 20 0 AHADRN CC[C@H](C)C1=CCC(F)(F)CC1 ZINC001249863430 765361258 /nfs/dbraw/zinc/36/12/58/765361258.db2.gz SEDDBTDVOIRRKE-QMMMGPOBSA-N 0 0 174.234 3.778 20 0 AHADRN CC[C@@H](C)c1ccc(Cl)c(OC)c1 ZINC001249863435 765358193 /nfs/dbraw/zinc/35/81/93/765358193.db2.gz SHSBGZKKPADHQW-MRVPVSSYSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@H](C)c1ccc(Cl)c(OC)c1 ZINC001249863437 765361704 /nfs/dbraw/zinc/36/17/04/765361704.db2.gz SHSBGZKKPADHQW-QMMMGPOBSA-N 0 0 198.693 3.862 20 0 AHADRN CC[C@H](C)c1cccc(OC2CC2)c1 ZINC001249863506 765360197 /nfs/dbraw/zinc/36/01/97/765360197.db2.gz SVMPLLUUTCBQBH-JTQLQIEISA-N 0 0 190.286 3.741 20 0 AHADRN CC[C@@H](C)c1cccc(OC2CC2)c1 ZINC001249863507 765358990 /nfs/dbraw/zinc/35/89/90/765358990.db2.gz SVMPLLUUTCBQBH-SNVBAGLBSA-N 0 0 190.286 3.741 20 0 AHADRN CC[C@H](C)c1ccc(N(C)C)c(C)c1 ZINC001249863570 765358977 /nfs/dbraw/zinc/35/89/77/765358977.db2.gz VOZRAWPJPBRJEE-JTQLQIEISA-N 0 0 191.318 3.575 20 0 AHADRN CC[C@@H](C)c1ccc(N(C)C)c(C)c1 ZINC001249863571 765360206 /nfs/dbraw/zinc/36/02/06/765360206.db2.gz VOZRAWPJPBRJEE-SNVBAGLBSA-N 0 0 191.318 3.575 20 0 AHADRN CC[C@@H](C)c1cc(F)cc2[nH]ccc21 ZINC001249863732 765360070 /nfs/dbraw/zinc/36/00/70/765360070.db2.gz XEXSTPYIQGAAJU-MRVPVSSYSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@H](C)c1cc(F)cc2[nH]ccc21 ZINC001249863733 765361335 /nfs/dbraw/zinc/36/13/35/765361335.db2.gz XEXSTPYIQGAAJU-QMMMGPOBSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@@H](C)c1cnc2sccc2c1 ZINC001249863775 765360098 /nfs/dbraw/zinc/36/00/98/765360098.db2.gz XSPLVXOUGGDMAS-MRVPVSSYSA-N 0 0 191.299 3.810 20 0 AHADRN CC[C@H](C)c1cnc2sccc2c1 ZINC001249863777 765359940 /nfs/dbraw/zinc/35/99/40/765359940.db2.gz XSPLVXOUGGDMAS-QMMMGPOBSA-N 0 0 191.299 3.810 20 0 AHADRN CC[C@@H](C)c1cccc(C(C)=O)c1F ZINC001249864451 765363139 /nfs/dbraw/zinc/36/31/39/765363139.db2.gz CGYIOUBWSHAIDS-MRVPVSSYSA-N 0 0 194.249 3.542 20 0 AHADRN CC[C@H](C)c1cccc(C(C)=O)c1F ZINC001249864453 765364752 /nfs/dbraw/zinc/36/47/52/765364752.db2.gz CGYIOUBWSHAIDS-QMMMGPOBSA-N 0 0 194.249 3.542 20 0 AHADRN Cc1sccc1Cc1ccccc1 ZINC001249864482 765363934 /nfs/dbraw/zinc/36/39/34/765363934.db2.gz BGIINWXRJPGBBK-UHFFFAOYSA-N 0 0 188.295 3.647 20 0 AHADRN CC[C@@H](C)c1c(F)cc(C)cc1OC ZINC001249864499 765363727 /nfs/dbraw/zinc/36/37/27/765363727.db2.gz CXFPAVCBSDLMEU-SECBINFHSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@H](C)c1c(F)cc(C)cc1OC ZINC001249864501 765365129 /nfs/dbraw/zinc/36/51/29/765365129.db2.gz CXFPAVCBSDLMEU-VIFPVBQESA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@@H](C)c1c(C)cc(OC)cc1C ZINC001249864540 765364071 /nfs/dbraw/zinc/36/40/71/765364071.db2.gz BNFTXEBEGCIZSJ-SECBINFHSA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@H](C)c1c(C)cc(OC)cc1C ZINC001249864541 765362681 /nfs/dbraw/zinc/36/26/81/765362681.db2.gz BNFTXEBEGCIZSJ-VIFPVBQESA-N 0 0 192.302 3.826 20 0 AHADRN CCc1cc([C@@H](C)CC)ccc1OC ZINC001249864646 765363436 /nfs/dbraw/zinc/36/34/36/765363436.db2.gz HPEQDBQMGSSMPE-JTQLQIEISA-N 0 0 192.302 3.771 20 0 AHADRN CCc1cc([C@H](C)CC)ccc1OC ZINC001249864647 765365225 /nfs/dbraw/zinc/36/52/25/765365225.db2.gz HPEQDBQMGSSMPE-SNVBAGLBSA-N 0 0 192.302 3.771 20 0 AHADRN CC[C@@H](C)c1ccc(F)c(C)c1F ZINC001249864648 765362715 /nfs/dbraw/zinc/36/27/15/765362715.db2.gz HSHHXANNESOKDI-SSDOTTSWSA-N 0 0 184.229 3.787 20 0 AHADRN CC[C@H](C)c1ccc(F)c(C)c1F ZINC001249864649 765364138 /nfs/dbraw/zinc/36/41/38/765364138.db2.gz HSHHXANNESOKDI-ZETCQYMHSA-N 0 0 184.229 3.787 20 0 AHADRN CC[C@@H](C)c1cc(C)cnc1SC ZINC001249864659 765364799 /nfs/dbraw/zinc/36/47/99/765364799.db2.gz DFUSECQMYJJFFS-SECBINFHSA-N 0 0 195.331 3.625 20 0 AHADRN CC[C@H](C)c1cc(C)cnc1SC ZINC001249864661 765364891 /nfs/dbraw/zinc/36/48/91/765364891.db2.gz DFUSECQMYJJFFS-VIFPVBQESA-N 0 0 195.331 3.625 20 0 AHADRN CC[C@@H](C)c1cc(F)ccc1Cl ZINC001249864665 765364588 /nfs/dbraw/zinc/36/45/88/765364588.db2.gz DHIIYKTXGXKVBQ-SSDOTTSWSA-N 0 0 186.657 3.993 20 0 AHADRN CC[C@H](C)c1cc(F)ccc1Cl ZINC001249864666 765365295 /nfs/dbraw/zinc/36/52/95/765365295.db2.gz DHIIYKTXGXKVBQ-ZETCQYMHSA-N 0 0 186.657 3.993 20 0 AHADRN CC[C@@H](C)c1ccc(OC)c(C)c1C ZINC001249864675 765365178 /nfs/dbraw/zinc/36/51/78/765365178.db2.gz DJKAKHYYYMGXEL-SECBINFHSA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@H](C)c1ccc(OC)c(C)c1C ZINC001249864676 765364287 /nfs/dbraw/zinc/36/42/87/765364287.db2.gz DJKAKHYYYMGXEL-VIFPVBQESA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@@H](C)c1ccc2nc(C)oc2c1 ZINC001249864695 765364278 /nfs/dbraw/zinc/36/42/78/765364278.db2.gz FIOMEOIAGXAVEL-MRVPVSSYSA-N 0 0 189.258 3.650 20 0 AHADRN CC[C@H](C)c1ccc2nc(C)oc2c1 ZINC001249864696 765365046 /nfs/dbraw/zinc/36/50/46/765365046.db2.gz FIOMEOIAGXAVEL-QMMMGPOBSA-N 0 0 189.258 3.650 20 0 AHADRN CCOc1cc(C)ccc1[C@H](C)CC ZINC001249864731 765363513 /nfs/dbraw/zinc/36/35/13/765363513.db2.gz GPTWPKZRHBEBJI-LLVKDONJSA-N 0 0 192.302 3.907 20 0 AHADRN CCOc1cc(C)ccc1[C@@H](C)CC ZINC001249864732 765362708 /nfs/dbraw/zinc/36/27/08/765362708.db2.gz GPTWPKZRHBEBJI-NSHDSACASA-N 0 0 192.302 3.907 20 0 AHADRN CC[C@@H](C)c1c(F)c(C)ccc1OC ZINC001249864733 765364129 /nfs/dbraw/zinc/36/41/29/765364129.db2.gz GPXBPFPDJOAJGW-MRVPVSSYSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@H](C)c1c(F)c(C)ccc1OC ZINC001249864734 765364452 /nfs/dbraw/zinc/36/44/52/765364452.db2.gz GPXBPFPDJOAJGW-QMMMGPOBSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@@H](C)c1cc2cc(F)ccc2[nH]1 ZINC001249865061 765363327 /nfs/dbraw/zinc/36/33/27/765363327.db2.gz PASBBHVPBBDPMU-MRVPVSSYSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@H](C)c1cc2cc(F)ccc2[nH]1 ZINC001249865063 765364370 /nfs/dbraw/zinc/36/43/70/765364370.db2.gz PASBBHVPBBDPMU-QMMMGPOBSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@@H](C)c1cc(C)c(F)c(OC)c1 ZINC001249865074 765364918 /nfs/dbraw/zinc/36/49/18/765364918.db2.gz HMGPCLCRHZDAGU-MRVPVSSYSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@H](C)c1cc(C)c(F)c(OC)c1 ZINC001249865075 765363778 /nfs/dbraw/zinc/36/37/78/765363778.db2.gz HMGPCLCRHZDAGU-QMMMGPOBSA-N 0 0 196.265 3.656 20 0 AHADRN CCOc1c(F)cccc1[C@H](C)CC ZINC001249865089 765365039 /nfs/dbraw/zinc/36/50/39/765365039.db2.gz HVGZUQMQKNUYKW-SECBINFHSA-N 0 0 196.265 3.738 20 0 AHADRN CCOc1c(F)cccc1[C@@H](C)CC ZINC001249865090 765364877 /nfs/dbraw/zinc/36/48/77/765364877.db2.gz HVGZUQMQKNUYKW-VIFPVBQESA-N 0 0 196.265 3.738 20 0 AHADRN CC[C@H](C)c1ccnc(C(C)(C)C)c1 ZINC001249865099 765363963 /nfs/dbraw/zinc/36/39/63/765363963.db2.gz HYBHJLKMCVMHFM-JTQLQIEISA-N 0 0 191.318 3.893 20 0 AHADRN CC[C@@H](C)c1ccnc(C(C)(C)C)c1 ZINC001249865100 765364604 /nfs/dbraw/zinc/36/46/04/765364604.db2.gz HYBHJLKMCVMHFM-SNVBAGLBSA-N 0 0 191.318 3.893 20 0 AHADRN CC[C@H](C)c1cc(C)cc(C)c1OC ZINC001249865113 765364304 /nfs/dbraw/zinc/36/43/04/765364304.db2.gz IDFJLSABRSOELQ-JTQLQIEISA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@@H](C)c1cc(C)cc(C)c1OC ZINC001249865114 765364218 /nfs/dbraw/zinc/36/42/18/765364218.db2.gz IDFJLSABRSOELQ-SNVBAGLBSA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@@H](C)c1cc(C2CC2)cnc1C ZINC001249865275 765362341 /nfs/dbraw/zinc/36/23/41/765362341.db2.gz KEAMOVRELWADLO-SECBINFHSA-N 0 0 189.302 3.781 20 0 AHADRN CC[C@H](C)c1cc(C2CC2)cnc1C ZINC001249865280 765365134 /nfs/dbraw/zinc/36/51/34/765365134.db2.gz KEAMOVRELWADLO-VIFPVBQESA-N 0 0 189.302 3.781 20 0 AHADRN CC[C@@H](C)c1ccc(Cl)nc1C ZINC001249865313 765365093 /nfs/dbraw/zinc/36/50/93/765365093.db2.gz RBZBNVPYLZFKCK-SSDOTTSWSA-N 0 0 183.682 3.557 20 0 AHADRN CC[C@H](C)c1ccc(Cl)nc1C ZINC001249865316 765362577 /nfs/dbraw/zinc/36/25/77/765362577.db2.gz RBZBNVPYLZFKCK-ZETCQYMHSA-N 0 0 183.682 3.557 20 0 AHADRN CCOc1ccc(C)c([C@@H](C)CC)c1 ZINC001249865346 765363874 /nfs/dbraw/zinc/36/38/74/765363874.db2.gz KREGAAPORADATI-JTQLQIEISA-N 0 0 192.302 3.907 20 0 AHADRN CCOc1ccc(C)c([C@H](C)CC)c1 ZINC001249865348 765365393 /nfs/dbraw/zinc/36/53/93/765365393.db2.gz KREGAAPORADATI-SNVBAGLBSA-N 0 0 192.302 3.907 20 0 AHADRN CC[C@H](C)c1cc2cc(C)ccc2[nH]1 ZINC001249865411 765364148 /nfs/dbraw/zinc/36/41/48/765364148.db2.gz RZRNDDFDMPFNJV-JTQLQIEISA-N 0 0 187.286 3.990 20 0 AHADRN CC[C@@H](C)c1cc2cc(C)ccc2[nH]1 ZINC001249865416 765364473 /nfs/dbraw/zinc/36/44/73/765364473.db2.gz RZRNDDFDMPFNJV-SNVBAGLBSA-N 0 0 187.286 3.990 20 0 AHADRN CC[C@@H](C)c1cccc(OC)c1C ZINC001249865429 765364241 /nfs/dbraw/zinc/36/42/41/765364241.db2.gz LLOORTVEBMNCPN-SECBINFHSA-N 0 0 178.275 3.517 20 0 AHADRN CC[C@H](C)c1cccc(OC)c1C ZINC001249865431 765363017 /nfs/dbraw/zinc/36/30/17/765363017.db2.gz LLOORTVEBMNCPN-VIFPVBQESA-N 0 0 178.275 3.517 20 0 AHADRN CC[C@@H](C)c1cc(C)cc(Cl)c1N ZINC001249865668 765364026 /nfs/dbraw/zinc/36/40/26/765364026.db2.gz OJQJZRSRPWZYEM-MRVPVSSYSA-N 0 0 197.709 3.744 20 0 AHADRN CC[C@H](C)c1cc(C)cc(Cl)c1N ZINC001249865671 765363847 /nfs/dbraw/zinc/36/38/47/765363847.db2.gz OJQJZRSRPWZYEM-QMMMGPOBSA-N 0 0 197.709 3.744 20 0 AHADRN CC[C@@H](C)c1cc2ccc(F)cc2[nH]1 ZINC001249865682 765365183 /nfs/dbraw/zinc/36/51/83/765365183.db2.gz YWQSVRFDYDXYJY-MRVPVSSYSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@H](C)c1cc2ccc(F)cc2[nH]1 ZINC001249865683 765363363 /nfs/dbraw/zinc/36/33/63/765363363.db2.gz YWQSVRFDYDXYJY-QMMMGPOBSA-N 0 0 191.249 3.821 20 0 AHADRN CC[C@@H](C)c1c(F)ccc(F)c1C ZINC001249865685 765364995 /nfs/dbraw/zinc/36/49/95/765364995.db2.gz OPLKIFJEGSFSRP-SSDOTTSWSA-N 0 0 184.229 3.787 20 0 AHADRN CC[C@H](C)c1c(F)ccc(F)c1C ZINC001249865686 765364006 /nfs/dbraw/zinc/36/40/06/765364006.db2.gz OPLKIFJEGSFSRP-ZETCQYMHSA-N 0 0 184.229 3.787 20 0 AHADRN CC[C@@H](C)c1ccc(C)c(F)c1OC ZINC001249865701 765363860 /nfs/dbraw/zinc/36/38/60/765363860.db2.gz PDWLPFQBGHAYIF-MRVPVSSYSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@H](C)c1ccc(C)c(F)c1OC ZINC001249865702 765364856 /nfs/dbraw/zinc/36/48/56/765364856.db2.gz PDWLPFQBGHAYIF-QMMMGPOBSA-N 0 0 196.265 3.656 20 0 AHADRN CC[C@@H](C)c1ccc(SC)nc1C ZINC001249865721 765362789 /nfs/dbraw/zinc/36/27/89/765362789.db2.gz PLJCCIQHQVQXSA-MRVPVSSYSA-N 0 0 195.331 3.625 20 0 AHADRN CC[C@H](C)c1ccc(SC)nc1C ZINC001249865723 765365115 /nfs/dbraw/zinc/36/51/15/765365115.db2.gz PLJCCIQHQVQXSA-QMMMGPOBSA-N 0 0 195.331 3.625 20 0 AHADRN CC[C@@H](C)c1cc(C)c(C)cc1OC ZINC001249865735 765362295 /nfs/dbraw/zinc/36/22/95/765362295.db2.gz PROXKNJMSORQQK-SECBINFHSA-N 0 0 192.302 3.826 20 0 AHADRN CC[C@H](C)c1cc(C)c(C)cc1OC ZINC001249865736 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