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C[C@H](C[NH2+]C1CCCC1)C(=O)[O-] 35757433 572037927 /nfs/dbraw/zinc/03/79/27/572037927.db2.gz LVAJNBURBDJDOH-SSDOTTSWSA-N 0 0 171.240 1.239 20 0 ADADRN C/C=C/C=C/C(=O)N(CCO)C1CC1 36129854 572038072 /nfs/dbraw/zinc/03/80/72/572038072.db2.gz IHVGXDFRNYAOCJ-MQQKCMAXSA-N 0 0 195.262 1.102 20 0 ADADRN C/C=C(\C)C(=O)N(CC)CC 33842472 572038078 /nfs/dbraw/zinc/03/80/78/572038078.db2.gz FKTDBDLCSXPFJU-VMPITWQZSA-N 0 0 155.241 1.821 20 0 ADADRN C[C@@H](C[NH2+][C@@H](C)C1CC1)C(=O)[O-] 35759133 572038996 /nfs/dbraw/zinc/03/89/96/572038996.db2.gz COHKNOBOWIGBHA-BQBZGAKWSA-N 0 0 171.240 1.095 20 0 ADADRN CC(C)C[C@H](C)C[NH2+]CCC(=O)[O-] 300909423 572041680 /nfs/dbraw/zinc/04/16/80/572041680.db2.gz LSEKBAJJFSAHSC-VIFPVBQESA-N 0 0 187.283 1.733 20 0 ADADRN C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)[O-] 42608423 572042203 /nfs/dbraw/zinc/04/22/03/572042203.db2.gz DQCOGMTYNOHESX-BDAKNGLRSA-N 0 0 185.267 1.582 20 0 ADADRN O=Cc1ccc(OCCCO)cc1F 404142566 572042343 /nfs/dbraw/zinc/04/23/43/572042343.db2.gz ZRRZENQLKSKEPS-UHFFFAOYSA-N 0 0 198.193 1.399 20 0 ADADRN C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)[O-] 42608425 572042488 /nfs/dbraw/zinc/04/24/88/572042488.db2.gz DQCOGMTYNOHESX-RKDXNWHRSA-N 0 0 185.267 1.582 20 0 ADADRN C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)[O-] 42608426 572043588 /nfs/dbraw/zinc/04/35/88/572043588.db2.gz DQCOGMTYNOHESX-DTWKUNHWSA-N 0 0 185.267 1.582 20 0 ADADRN CSCCCNC(=O)C(F)F 235055214 572043922 /nfs/dbraw/zinc/04/39/22/572043922.db2.gz BPGCYTPYKGNQPZ-UHFFFAOYSA-N 0 0 183.223 1.121 20 0 ADADRN C=CC[C@@H](C)[NH2+][C@H](C)CC(=O)[O-] 122295003 572043953 /nfs/dbraw/zinc/04/39/53/572043953.db2.gz VNGIINRYOUNZNY-HTQZYQBOSA-N 0 0 171.240 1.404 20 0 ADADRN CSC(C)(C)CNC(=O)C(F)F 235058546 572044106 /nfs/dbraw/zinc/04/41/06/572044106.db2.gz GQGGXBDBHJEMFD-UHFFFAOYSA-N 0 0 197.250 1.509 20 0 ADADRN C[C@H]([NH2+]CCCC(C)(C)C)C(=O)[O-] 300916648 572044168 /nfs/dbraw/zinc/04/41/68/572044168.db2.gz SQSSERQDYXJZCJ-QMMMGPOBSA-N 0 0 187.283 1.875 20 0 ADADRN C=CC[C@H](C)[NH2+][C@@H](C)CC(=O)[O-] 122294345 572044304 /nfs/dbraw/zinc/04/43/04/572044304.db2.gz VNGIINRYOUNZNY-YUMQZZPRSA-N 0 0 171.240 1.404 20 0 ADADRN CSCC[C@@H](C)NC(=O)C(F)F 235058713 572044317 /nfs/dbraw/zinc/04/43/17/572044317.db2.gz GVOOSNHUKCJZAN-RXMQYKEDSA-N 0 0 197.250 1.509 20 0 ADADRN C/C=C/C(=O)NCCC[C@H]1CCOC1 402167133 572045191 /nfs/dbraw/zinc/04/51/91/572045191.db2.gz TTYMSCBUQGWOKR-YWNRKNDBSA-N 0 0 197.278 1.495 20 0 ADADRN C=CC[C@@H](C)[NH2+][C@@H](C)CC(=O)[O-] 122294617 572045386 /nfs/dbraw/zinc/04/53/86/572045386.db2.gz VNGIINRYOUNZNY-SFYZADRCSA-N 0 0 171.240 1.404 20 0 ADADRN C=CC[C@H](C)[NH2+][C@H](C)CC(=O)[O-] 122294819 572045563 /nfs/dbraw/zinc/04/55/63/572045563.db2.gz VNGIINRYOUNZNY-JGVFFNPUSA-N 0 0 171.240 1.404 20 0 ADADRN O=C1CCCN1N=Cc1cncs1 379377880 572045864 /nfs/dbraw/zinc/04/58/64/572045864.db2.gz ZGTTYNRROKUBSZ-UHFFFAOYSA-N 0 0 195.247 1.099 20 0 ADADRN C[C@@H]([NH2+]CCCC(C)(C)C)C(=O)[O-] 300916646 572046085 /nfs/dbraw/zinc/04/60/85/572046085.db2.gz SQSSERQDYXJZCJ-MRVPVSSYSA-N 0 0 187.283 1.875 20 0 ADADRN CCCC(CCC)C(=O)NOC 33902599 572046136 /nfs/dbraw/zinc/04/61/36/572046136.db2.gz RMBSNZFAMDPPJL-UHFFFAOYSA-N 0 0 173.256 1.880 20 0 ADADRN CC(C)CC[N@@H+]1C[C@@H](C)[C@@H](C(=O)[O-])C1 82557685 572046492 /nfs/dbraw/zinc/04/64/92/572046492.db2.gz GCTZIHAOOYYVAL-ZJUUUORDSA-N 0 0 199.294 1.685 20 0 ADADRN C/C=C/C(=O)N(C)Cc1ccco1 82551543 572046961 /nfs/dbraw/zinc/04/69/61/572046961.db2.gz LDOQJJAXVAKFCW-HWKANZROSA-N 0 0 179.219 1.814 20 0 ADADRN CCCCC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](C)C1 82557699 572046596 /nfs/dbraw/zinc/04/65/96/572046596.db2.gz WIZAYDPETKCLMH-VHSXEESVSA-N 0 0 199.294 1.829 20 0 ADADRN CC[C@H](C)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](C)C1 82557823 572046601 /nfs/dbraw/zinc/04/66/01/572046601.db2.gz QQARFCADWRIQIH-LPEHRKFASA-N 0 0 199.294 1.685 20 0 ADADRN CC(=O)OCC1=CCCC1 33986462 572046884 /nfs/dbraw/zinc/04/68/84/572046884.db2.gz YTFKODRXTIXMOG-UHFFFAOYSA-N 0 0 140.182 1.660 20 0 ADADRN CCCC[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 82557726 572047034 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1.685 20 0 ADADRN C/C=C(/C)C(=O)N=c1sccn1C 379384265 572048642 /nfs/dbraw/zinc/04/86/42/572048642.db2.gz NJGNIWXYZLBXAR-KTDBKOFCSA-N 0 0 196.275 1.480 20 0 ADADRN C[C@H]1C[C@H]1C[NH2+]CCCCC(=O)[O-] 235609863 572049433 /nfs/dbraw/zinc/04/94/33/572049433.db2.gz IQYALLBBFDZTDG-IUCAKERBSA-N 0 0 185.267 1.487 20 0 ADADRN CC(C)=CCC[C@@H]([NH3+])C(=O)[O-] 34049643 572050119 /nfs/dbraw/zinc/05/01/19/572050119.db2.gz UKVSSBMPQFISHT-SSDOTTSWSA-N 0 0 157.213 1.145 20 0 ADADRN CC(C)=CCC[C@H]([NH3+])C(=O)[O-] 34049642 572050492 /nfs/dbraw/zinc/05/04/92/572050492.db2.gz UKVSSBMPQFISHT-ZETCQYMHSA-N 0 0 157.213 1.145 20 0 ADADRN C[C@@H](C1CC1)N(C)C(=O)C(F)F 235072380 572050586 /nfs/dbraw/zinc/05/05/86/572050586.db2.gz YDXWKBBVQUIEBN-YFKPBYRVSA-N 0 0 177.194 1.508 20 0 ADADRN CC(C)[NH2+]C1CCC(C(=O)[O-])CC1 34049750 572050609 /nfs/dbraw/zinc/05/06/09/572050609.db2.gz NLBXSGLWKXJYIW-UHFFFAOYSA-N 0 0 185.267 1.628 20 0 ADADRN Cc1ccnc(CSCCO)n1 393338915 572050923 /nfs/dbraw/zinc/05/09/23/572050923.db2.gz 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CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] 42579312 573983239 /nfs/dbraw/zinc/98/32/39/573983239.db2.gz OLRHKDICUOUOCY-BDAKNGLRSA-N 0 0 185.267 1.629 20 0 ADADRN C[C@H](C(N)=O)c1ccc(Cl)cc1 82038283 573982511 /nfs/dbraw/zinc/98/25/11/573982511.db2.gz RMSRXEUMWACGGJ-LURJTMIESA-N 0 0 183.638 1.929 20 0 ADADRN C[C@]1(c2ccc(F)cc2)CNC(=O)C1 85134066 573986718 /nfs/dbraw/zinc/98/67/18/573986718.db2.gz PXNOFKFPAOUONM-LLVKDONJSA-N 0 0 193.221 1.603 20 0 ADADRN Cc1ccc([C@@]2(C)CNC(=O)C2)cc1 85134043 573986872 /nfs/dbraw/zinc/98/68/72/573986872.db2.gz DEIVGXOYSBRNCW-GFCCVEGCSA-N 0 0 189.258 1.773 20 0 ADADRN C[C@]1(c2cccs2)CNC(=O)C1 85134146 573986984 /nfs/dbraw/zinc/98/69/84/573986984.db2.gz JQFSCPCDIXYKAG-SECBINFHSA-N 0 0 181.260 1.526 20 0 ADADRN C[C@]1(c2ccsc2)CNC(=O)C1 85134181 573987744 /nfs/dbraw/zinc/98/77/44/573987744.db2.gz IYYDQPRTUSNYQK-SECBINFHSA-N 0 0 181.260 1.526 20 0 ADADRN C[C@@]1(c2cccs2)CNC(=O)C1 85134144 573987764 /nfs/dbraw/zinc/98/77/64/573987764.db2.gz 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/nfs/dbraw/zinc/98/80/99/573988099.db2.gz SBUKOWMFEJUJLE-SVRRBLITSA-N 0 0 141.214 1.311 20 0 ADADRN Nc1cccn(C2CCC2)c1=O 258465313 573988120 /nfs/dbraw/zinc/98/81/20/573988120.db2.gz HQFFZPVZESIPJQ-UHFFFAOYSA-N 0 0 164.208 1.156 20 0 ADADRN O=C1CC2(CN1)Cc1ccccc1C2 85133620 573988125 /nfs/dbraw/zinc/98/81/25/573988125.db2.gz DHVIMOVUYLMVNU-UHFFFAOYSA-N 0 0 187.242 1.292 20 0 ADADRN CCC[C@@]1(C)CC(=O)N[C@@H]1C 85134589 573988140 /nfs/dbraw/zinc/98/81/40/573988140.db2.gz DFIGYOYZYLCLCH-APPZFPTMSA-N 0 0 155.241 1.701 20 0 ADADRN O=C1CC2(CCSCC2)CN1 85134339 573988219 /nfs/dbraw/zinc/98/82/19/573988219.db2.gz KPLMOZBLOGGIRM-UHFFFAOYSA-N 0 0 171.265 1.020 20 0 ADADRN CCC[C@]1(C)CC(=O)N[C@@H]1C 85134587 573988265 /nfs/dbraw/zinc/98/82/65/573988265.db2.gz DFIGYOYZYLCLCH-VXNVDRBHSA-N 0 0 155.241 1.701 20 0 ADADRN C[C@H]1CCC[C@]2(CNC(=O)C2)C1 85133953 573988341 /nfs/dbraw/zinc/98/83/41/573988341.db2.gz HRICMTMALVLWQV-WPRPVWTQSA-N 0 0 167.252 1.703 20 0 ADADRN C[C@@]1(c2ccccc2F)CNC(=O)C1 85134163 573988380 /nfs/dbraw/zinc/98/83/80/573988380.db2.gz KDEVAJJTGRGFDF-NSHDSACASA-N 0 0 193.221 1.603 20 0 ADADRN C[C@H]1NC(=O)C[C@]1(C)C1CC1 85134721 573988426 /nfs/dbraw/zinc/98/84/26/573988426.db2.gz QGODGGOGLLARFA-MUWHJKNJSA-N 0 0 153.225 1.311 20 0 ADADRN CCC1(CC)CC(=O)N[C@H]1C 85135097 573988450 /nfs/dbraw/zinc/98/84/50/573988450.db2.gz JMOLHXRGOFIYEO-ZETCQYMHSA-N 0 0 155.241 1.701 20 0 ADADRN C[C@@]1(c2cccc(F)c2)CNC(=O)C1 85133859 573988593 /nfs/dbraw/zinc/98/85/93/573988593.db2.gz XEHXRNXKRPEGOH-NSHDSACASA-N 0 0 193.221 1.603 20 0 ADADRN C[C@H]1NC(=O)C[C@@]1(C)C1CC1 85134725 573988636 /nfs/dbraw/zinc/98/86/36/573988636.db2.gz QGODGGOGLLARFA-HZGVNTEJSA-N 0 0 153.225 1.311 20 0 ADADRN Cc1cnc(C)c(NC2CC2)n1 82188855 573988875 /nfs/dbraw/zinc/98/88/75/573988875.db2.gz KYEAGBOJDHJXGL-UHFFFAOYSA-N 0 0 163.224 1.668 20 0 ADADRN Cc1ccccc1[C@]1(C)CNC(=O)C1 85133625 573988881 /nfs/dbraw/zinc/98/88/81/573988881.db2.gz XMMSFXVLQDDGGT-LBPRGKRZSA-N 0 0 189.258 1.773 20 0 ADADRN 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CC[C@@H]1CCC[C@H]1NC(=O)CCOC 674961017 486825487 /nfs/dbraw/zinc/82/54/87/486825487.db2.gz NCFYMTMLLNMNBJ-NXEZZACHSA-N 0 0 199.294 1.718 20 0 ADADRN CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)[O-] 82758601 486825490 /nfs/dbraw/zinc/82/54/90/486825490.db2.gz BOUKXSVCCCTRFQ-NXEZZACHSA-N 0 0 197.278 1.796 20 0 ADADRN CC[C@H]([NH2+][C@@H](C)CC(C)C)C(=O)[O-] 82757898 486825500 /nfs/dbraw/zinc/82/55/00/486825500.db2.gz SZOMDIJOLLAPJY-IUCAKERBSA-N 0 0 187.283 1.874 20 0 ADADRN Cc1c(NC(=O)[C@H]2C[C@H]2C)cnn1C 674969848 486825503 /nfs/dbraw/zinc/82/55/03/486825503.db2.gz VZMAEZRTBGRKLU-SVRRBLITSA-N 0 0 193.250 1.323 20 0 ADADRN CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)[O-] 82758815 486825504 /nfs/dbraw/zinc/82/55/04/486825504.db2.gz GTPXNFYLQQFPRY-YIZRAAEISA-N 0 0 185.267 1.628 20 0 ADADRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)[O-] 82758814 486825529 /nfs/dbraw/zinc/82/55/29/486825529.db2.gz GTPXNFYLQQFPRY-CIUDSAMLSA-N 0 0 185.267 1.628 20 0 ADADRN CC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)[O-] 82758600 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ADADRN CC[C@H]1CCC[C@H]1NC(=O)CCOC 674961020 486825684 /nfs/dbraw/zinc/82/56/84/486825684.db2.gz NCFYMTMLLNMNBJ-VHSXEESVSA-N 0 0 199.294 1.718 20 0 ADADRN Cc1c(NC(=O)[C@H]2C[C@@H]2C)cnn1C 674969849 486825697 /nfs/dbraw/zinc/82/56/97/486825697.db2.gz VZMAEZRTBGRKLU-XPUUQOCRSA-N 0 0 193.250 1.323 20 0 ADADRN Cc1c(NC(=O)[C@@H]2C[C@H]2C)cnn1C 674969846 486825700 /nfs/dbraw/zinc/82/57/00/486825700.db2.gz VZMAEZRTBGRKLU-HTRCEHHLSA-N 0 0 193.250 1.323 20 0 ADADRN C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)[O-] 82837145 486825952 /nfs/dbraw/zinc/82/59/52/486825952.db2.gz SHZIGGVGCSLGBL-AATLWQCWSA-N 0 0 199.294 1.874 20 0 ADADRN C[C@H]1CC[C@@H](C)N1C(=O)[C@H]1CCOC1 675120517 486826049 /nfs/dbraw/zinc/82/60/49/486826049.db2.gz GKVNCVLAISMJAE-AEJSXWLSSA-N 0 0 197.278 1.422 20 0 ADADRN CC[C@@H](C)N(C)c1nccn(C)c1=O 675112834 486826117 /nfs/dbraw/zinc/82/61/17/486826117.db2.gz XPDJXARVHCHDOH-MRVPVSSYSA-N 0 0 195.266 1.015 20 0 ADADRN CC[C@H](OC)C(=O)N1[C@@H](C)CC[C@H]1C 675120844 486826167 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CC[C@@H](C)OCC(=O)N1CCC[C@@H]1C 676894883 486873082 /nfs/dbraw/zinc/87/30/82/486873082.db2.gz TWUFJRADOLWLCY-VHSXEESVSA-N 0 0 199.294 1.812 20 0 ADADRN CC[C@@H](C)OCC(=O)NC1CC(C)C1 676898138 486873018 /nfs/dbraw/zinc/87/30/18/486873018.db2.gz LISXASAXIGOINF-HWOCKDDLSA-N 0 0 199.294 1.716 20 0 ADADRN CCC[C@@H](C)NC(=O)CCCCO 86087011 486873172 /nfs/dbraw/zinc/87/31/72/486873172.db2.gz OHOOEBGYTOHFRU-SECBINFHSA-N 0 0 187.283 1.454 20 0 ADADRN CN(CC1CC1)C(=O)CCCCO 86086945 486873310 /nfs/dbraw/zinc/87/33/10/486873310.db2.gz HGXNRVKQQJHIIN-UHFFFAOYSA-N 0 0 185.267 1.017 20 0 ADADRN CCCN(CC)C(=O)CCCCO 86086985 486873332 /nfs/dbraw/zinc/87/33/32/486873332.db2.gz MMAKILOIMRODRP-UHFFFAOYSA-N 0 0 187.283 1.408 20 0 ADADRN CC(C)C[C@H](C)NC(=O)c1ccon1 676939962 486873439 /nfs/dbraw/zinc/87/34/39/486873439.db2.gz QAZUGDJRDUTIHR-QMMMGPOBSA-N 0 0 196.250 1.839 20 0 ADADRN C[C@H]1CCCN1C(=O)CCCCO 86086958 486873577 /nfs/dbraw/zinc/87/35/77/486873577.db2.gz QJLIWBZNLYKPJK-VIFPVBQESA-N 0 0 185.267 1.160 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CC(C)C[C@@H](C)NC(=O)[C@@H]1CCOC1 676942634 486874175 /nfs/dbraw/zinc/87/41/75/486874175.db2.gz XJCODOSHFRIISC-NXEZZACHSA-N 0 0 199.294 1.574 20 0 ADADRN CC(C)C[C@@H](C)NC(=O)[C@H]1CCCO1 676938800 486874182 /nfs/dbraw/zinc/87/41/82/486874182.db2.gz DHJIMMOIMVUOBT-NXEZZACHSA-N 0 0 199.294 1.716 20 0 ADADRN C[C@@H]1CN(C(=O)CCCCO)C[C@@H]1C 86087192 486874185 /nfs/dbraw/zinc/87/41/85/486874185.db2.gz PWCRDGSMIIYSJD-AOOOYVTPSA-N 0 0 199.294 1.263 20 0 ADADRN CC1(C)C[C@@H]1NC(=O)CCCCO 86087131 486874200 /nfs/dbraw/zinc/87/42/00/486874200.db2.gz TWGDEGQIWSMBPR-QMMMGPOBSA-N 0 0 185.267 1.064 20 0 ADADRN CC1(C)C[C@H]1NC(=O)CCCCO 86087132 486874150 /nfs/dbraw/zinc/87/41/50/486874150.db2.gz TWGDEGQIWSMBPR-MRVPVSSYSA-N 0 0 185.267 1.064 20 0 ADADRN COCCC(=O)NCC1(C2CC2)CC1 676955959 486874162 /nfs/dbraw/zinc/87/41/62/486874162.db2.gz GETFRPWBUQNZGC-UHFFFAOYSA-N 0 0 197.278 1.329 20 0 ADADRN Cc1ccc(N[C@H](CO)C(C)C)nn1 86126661 486874302 /nfs/dbraw/zinc/87/43/02/486874302.db2.gz 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/nfs/dbraw/zinc/87/49/10/486874910.db2.gz SZMDXGNDBODTPW-QMMMGPOBSA-N 0 0 195.218 1.107 20 0 ADADRN C[C@@H]1CN(C(=O)CCCCO)C[C@H]1C 86087194 486874918 /nfs/dbraw/zinc/87/49/18/486874918.db2.gz PWCRDGSMIIYSJD-NXEZZACHSA-N 0 0 199.294 1.263 20 0 ADADRN C[C@@H](C(=O)N[C@H]1CCOC1)C(C)(C)C 676990326 486874926 /nfs/dbraw/zinc/87/49/26/486874926.db2.gz PYYIOSODXUBGOB-IUCAKERBSA-N 0 0 199.294 1.574 20 0 ADADRN CCCCC(=O)NC1(C)CCOCC1 676996733 486874929 /nfs/dbraw/zinc/87/49/29/486874929.db2.gz CLIOLZDRQZBDIZ-UHFFFAOYSA-N 0 0 199.294 1.862 20 0 ADADRN CCC[C@H](C)NC(=O)CCCCO 86087012 486874938 /nfs/dbraw/zinc/87/49/38/486874938.db2.gz OHOOEBGYTOHFRU-VIFPVBQESA-N 0 0 187.283 1.454 20 0 ADADRN C[C@@H]1C[C@H]1C(=O)NC1(C)CCOCC1 676997373 486875002 /nfs/dbraw/zinc/87/50/02/486875002.db2.gz RJRNFMKDYPACPZ-RKDXNWHRSA-N 0 0 197.278 1.328 20 0 ADADRN O=C(CCC1CCC1)N[C@H]1CCOC1 676957045 486875015 /nfs/dbraw/zinc/87/50/15/486875015.db2.gz YRNWFGSFINRTFP-JTQLQIEISA-N 0 0 197.278 1.472 20 0 ADADRN 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/nfs/dbraw/zinc/02/66/82/583026682.db2.gz FMUWIGOSMGPOJW-QMMMGPOBSA-N 0 0 184.239 1.298 20 0 ADADRN CCC[C@H](CC)C(=O)N[C@H]1CCOC1 821236721 583026685 /nfs/dbraw/zinc/02/66/85/583026685.db2.gz WCLWAEVYPBZARH-UWVGGRQHSA-N 0 0 199.294 1.718 20 0 ADADRN O=C1CC[C@@H](CSc2ncc[nH]2)O1 821078003 583026744 /nfs/dbraw/zinc/02/67/44/583026744.db2.gz DYTKQOFOQQSHFO-LURJTMIESA-N 0 0 198.247 1.207 20 0 ADADRN CN(C(=O)N[C@@H]1C=CCC1)C1CC1 821086237 583026803 /nfs/dbraw/zinc/02/68/03/583026803.db2.gz OEZUCSJPISIBJQ-MRVPVSSYSA-N 0 0 180.251 1.509 20 0 ADADRN CCc1nccn1C[C@H]1CCC(=O)O1 821084035 583026813 /nfs/dbraw/zinc/02/68/13/583026813.db2.gz HXTOHKZBASCRJQ-MRVPVSSYSA-N 0 0 194.234 1.151 20 0 ADADRN CCC[C@H](O)C(=O)N[C@H](C)C1CC1 821179777 583026832 /nfs/dbraw/zinc/02/68/32/583026832.db2.gz UCBRLLUGGGOYNG-APPZFPTMSA-N 0 0 185.267 1.062 20 0 ADADRN COCCSC[C@@H]1CCC(=O)O1 821078248 583026845 /nfs/dbraw/zinc/02/68/45/583026845.db2.gz NEMMBUUKWABUCD-ZETCQYMHSA-N 0 0 190.264 1.072 20 0 ADADRN CCC[C@H](CC)C(=O)N1CC(C)(O)C1 821106500 583026858 /nfs/dbraw/zinc/02/68/58/583026858.db2.gz PCRZETWSFWKSTA-VIFPVBQESA-N 0 0 199.294 1.406 20 0 ADADRN CC1(NC(=O)N[C@@H]2C=CCC2)CCC1 821073486 583026860 /nfs/dbraw/zinc/02/68/60/583026860.db2.gz GGTGHTHNSRBDKI-SECBINFHSA-N 0 0 194.278 1.947 20 0 ADADRN COCCSC[C@H]1CCC(=O)O1 821078247 583026869 /nfs/dbraw/zinc/02/68/69/583026869.db2.gz NEMMBUUKWABUCD-SSDOTTSWSA-N 0 0 190.264 1.072 20 0 ADADRN CCC[C@H](O)C(=O)NC1(CC)CC1 821106232 583026879 /nfs/dbraw/zinc/02/68/79/583026879.db2.gz YHWAVTGSAQPMFJ-QMMMGPOBSA-N 0 0 185.267 1.206 20 0 ADADRN CC(C)ONC(=O)N[C@H]1CC1(C)C 840408911 583026904 /nfs/dbraw/zinc/02/69/04/583026904.db2.gz VSLGIILCMRUKTD-ZETCQYMHSA-N 0 0 186.255 1.424 20 0 ADADRN CCC[C@H](CC)C(=O)N[C@H]1C[C@@H](O)C1 821070583 583026931 /nfs/dbraw/zinc/02/69/31/583026931.db2.gz GZRGKMHSQVGJKS-LPEHRKFASA-N 0 0 199.294 1.452 20 0 ADADRN CCN(C(=O)N[C@@H]1C=CCC1)C1CC1 821092921 583026938 /nfs/dbraw/zinc/02/69/38/583026938.db2.gz SIACGOUIKAZORS-SECBINFHSA-N 0 0 194.278 1.899 20 0 ADADRN C[C@H]1CCN1C(=O)N[C@@H]1C=CCC1 821092938 583026941 /nfs/dbraw/zinc/02/69/41/583026941.db2.gz STIHMRGLQWUIAF-DTWKUNHWSA-N 0 0 180.251 1.509 20 0 ADADRN O=C1CC[C@@H](CSc2ncco2)O1 821084141 583026944 /nfs/dbraw/zinc/02/69/44/583026944.db2.gz MNGJCTYXMPEYJX-LURJTMIESA-N 0 0 199.231 1.472 20 0 ADADRN CCC[C@H](CC)C(=O)N[C@@H]1CCOC1 821236722 583026952 /nfs/dbraw/zinc/02/69/52/583026952.db2.gz WCLWAEVYPBZARH-VHSXEESVSA-N 0 0 199.294 1.718 20 0 ADADRN O=C1CC[C@H](CSc2ncco2)O1 821084159 583026975 /nfs/dbraw/zinc/02/69/75/583026975.db2.gz MNGJCTYXMPEYJX-ZCFIWIBFSA-N 0 0 199.231 1.472 20 0 ADADRN CN(C(=O)N[C@H]1C=CCC1)C1CC1 821086238 583026991 /nfs/dbraw/zinc/02/69/91/583026991.db2.gz OEZUCSJPISIBJQ-QMMMGPOBSA-N 0 0 180.251 1.509 20 0 ADADRN CCC[C@@H](CC)C(=O)N1CC(C)(O)C1 821106499 583026994 /nfs/dbraw/zinc/02/69/94/583026994.db2.gz PCRZETWSFWKSTA-SECBINFHSA-N 0 0 199.294 1.406 20 0 ADADRN COCCCN1CCCc2n[nH]cc21 821269434 583026999 /nfs/dbraw/zinc/02/69/99/583026999.db2.gz DXXVCEZPOWMQEJ-UHFFFAOYSA-N 0 0 195.266 1.199 20 0 ADADRN CC1(C)CCN1C(=O)N[C@@H]1C=CCC1 821080121 583027066 /nfs/dbraw/zinc/02/70/66/583027066.db2.gz KNFUQNZQUZFLRY-SECBINFHSA-N 0 0 194.278 1.899 20 0 ADADRN CC1(C)CCN1C(=O)N[C@H]1C=CCC1 821080122 583027081 /nfs/dbraw/zinc/02/70/81/583027081.db2.gz KNFUQNZQUZFLRY-VIFPVBQESA-N 0 0 194.278 1.899 20 0 ADADRN CCC[C@H](CC)C(=O)N[C@@H](C)CO 821098839 583027127 /nfs/dbraw/zinc/02/71/27/583027127.db2.gz YDJPVDQKGBJUTD-IUCAKERBSA-N 0 0 187.283 1.310 20 0 ADADRN C[C@H]1CCN1C(=O)N[C@H]1C=CCC1 821092939 583027184 /nfs/dbraw/zinc/02/71/84/583027184.db2.gz STIHMRGLQWUIAF-IUCAKERBSA-N 0 0 180.251 1.509 20 0 ADADRN CC[C@](C)(O)C(=O)N[C@H](C)C1CC1 821179508 583027198 /nfs/dbraw/zinc/02/71/98/583027198.db2.gz OLDIJEKTKAYHFO-XCBNKYQSSA-N 0 0 185.267 1.062 20 0 ADADRN O=C1CC[C@H](CSc2ncc[nH]2)O1 821078004 583027223 /nfs/dbraw/zinc/02/72/23/583027223.db2.gz DYTKQOFOQQSHFO-ZCFIWIBFSA-N 0 0 198.247 1.207 20 0 ADADRN FCCCN1Cc2ccncc2C1 821261964 583027230 /nfs/dbraw/zinc/02/72/30/583027230.db2.gz SWWFCNVEUGCOMX-UHFFFAOYSA-N 0 0 180.226 1.757 20 0 ADADRN O=C(NOC1CCC1)[C@@]12CCC[C@@H]1C2 821221752 583027236 /nfs/dbraw/zinc/02/72/36/583027236.db2.gz MFNXUEPEBVJFHB-LDYMZIIASA-N 0 0 195.262 1.777 20 0 ADADRN Cc1occc1C[NH2+][C@@H](C)CC(=O)[O-] 821256857 583027258 /nfs/dbraw/zinc/02/72/58/583027258.db2.gz BBNBCAIELBGDDF-ZETCQYMHSA-N 0 0 197.234 1.541 20 0 ADADRN Cc1ccncc1[C@H](C)[NH2+]CC(=O)[O-] 821131044 583027262 /nfs/dbraw/zinc/02/72/62/583027262.db2.gz RMHYZUBPFVYGHF-QMMMGPOBSA-N 0 0 194.234 1.125 20 0 ADADRN CCc1nccn1C[C@@H]1CCC(=O)O1 821084036 583027271 /nfs/dbraw/zinc/02/72/71/583027271.db2.gz HXTOHKZBASCRJQ-QMMMGPOBSA-N 0 0 194.234 1.151 20 0 ADADRN C[C@@H]1CCN1C(=O)N[C@@H]1C=CCC1 821092940 583027300 /nfs/dbraw/zinc/02/73/00/583027300.db2.gz STIHMRGLQWUIAF-RKDXNWHRSA-N 0 0 180.251 1.509 20 0 ADADRN CC1(NC(=O)N[C@H]2C=CCC2)CCC1 821073487 583027301 /nfs/dbraw/zinc/02/73/01/583027301.db2.gz GGTGHTHNSRBDKI-VIFPVBQESA-N 0 0 194.278 1.947 20 0 ADADRN CCC[C@@H](CC)C(=O)N[C@H]1CCOC1 821236723 583027312 /nfs/dbraw/zinc/02/73/12/583027312.db2.gz WCLWAEVYPBZARH-ZJUUUORDSA-N 0 0 199.294 1.718 20 0 ADADRN OCC[C@@H](NCC1CC1)C(F)(F)F 821317726 583027522 /nfs/dbraw/zinc/02/75/22/583027522.db2.gz NJKMETBKXQIMIV-SSDOTTSWSA-N 0 0 197.200 1.299 20 0 ADADRN CC1=NO[C@H](C(=O)N(C)CC(C)C)C1 821340805 583027788 /nfs/dbraw/zinc/02/77/88/583027788.db2.gz FHLIUXPWXJSHTD-VIFPVBQESA-N 0 0 198.266 1.266 20 0 ADADRN CCCCN[C@H](CCO)C(F)(F)F 821317025 583027823 /nfs/dbraw/zinc/02/78/23/583027823.db2.gz FMLPNTSINCUDEO-SSDOTTSWSA-N 0 0 199.216 1.689 20 0 ADADRN CCN(C)C(=O)C(F)(F)CC 821335876 583027895 /nfs/dbraw/zinc/02/78/95/583027895.db2.gz MWPLGBGKAGDBMW-UHFFFAOYSA-N 0 0 165.183 1.510 20 0 ADADRN CC/C=C/CNC(=O)[C@@H](O)CCC 821309900 583027924 /nfs/dbraw/zinc/02/79/24/583027924.db2.gz XHAULZXHVXLYHA-CYNONHLPSA-N 0 0 185.267 1.230 20 0 ADADRN CCOCCN1CCCc2n[nH]cc21 821271379 583027943 /nfs/dbraw/zinc/02/79/43/583027943.db2.gz QWVMJCSMOQQVNC-UHFFFAOYSA-N 0 0 195.266 1.199 20 0 ADADRN CCN(C)C(=O)C(C)(C)SC 821335985 583027949 /nfs/dbraw/zinc/02/79/49/583027949.db2.gz PJSMWKFJWCXBPB-UHFFFAOYSA-N 0 0 175.297 1.606 20 0 ADADRN CCCN[C@@H](CCO)C(F)(F)F 821316796 583028011 /nfs/dbraw/zinc/02/80/11/583028011.db2.gz CVIJXIOKNAEGHC-LURJTMIESA-N 0 0 185.189 1.299 20 0 ADADRN CCCN[C@H](CCO)C(F)(F)F 821316797 583028016 /nfs/dbraw/zinc/02/80/16/583028016.db2.gz CVIJXIOKNAEGHC-ZCFIWIBFSA-N 0 0 185.189 1.299 20 0 ADADRN CCCN(CC)C(=O)[C@H]1CC(C)=NO1 821335730 583028024 /nfs/dbraw/zinc/02/80/24/583028024.db2.gz GHAYKKAVCHOZET-SECBINFHSA-N 0 0 198.266 1.410 20 0 ADADRN CCCN(CC)C(=O)[C@@H]1CC(C)=NO1 821335731 583028064 /nfs/dbraw/zinc/02/80/64/583028064.db2.gz GHAYKKAVCHOZET-VIFPVBQESA-N 0 0 198.266 1.410 20 0 ADADRN CC/C=C\CNC(=O)[C@@H](O)CCC 821309901 583028098 /nfs/dbraw/zinc/02/80/98/583028098.db2.gz XHAULZXHVXLYHA-UDIARPCQSA-N 0 0 185.267 1.230 20 0 ADADRN 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CO[C@@H](C)C(N)=NOCCC(C)C 379373913 697850534 /nfs/dbraw/zinc/85/05/34/697850534.db2.gz MECCWJVMYAODBA-QMMMGPOBSA-N 0 0 188.271 1.566 20 0 ADADRN CCONC(=O)N1CC[C@@H]1C(C)C 379374542 697850564 /nfs/dbraw/zinc/85/05/64/697850564.db2.gz NATABYAMIAPDAU-MRVPVSSYSA-N 0 0 186.255 1.378 20 0 ADADRN CCCN(C)Cn1cccnc1=S 379374518 697850570 /nfs/dbraw/zinc/85/05/70/697850570.db2.gz MZZAKBHWFGJNOP-UHFFFAOYSA-N 0 0 197.307 1.912 20 0 ADADRN CCC1(C(=O)O[C@@H](C)C(C)=O)CC1 379375384 697850817 /nfs/dbraw/zinc/85/08/17/697850817.db2.gz PHLQBYSHTILJCJ-QMMMGPOBSA-N 0 0 184.235 1.697 20 0 ADADRN CCC/C=C\C(=O)O[C@@H](C)COC 379374794 697850856 /nfs/dbraw/zinc/85/08/56/697850856.db2.gz NNDZFGPPZZGHRC-NMTCXDENSA-N 0 0 186.251 1.921 20 0 ADADRN CCC[C@@H](CC)NC(=O)N(C)OC 379375311 697850880 /nfs/dbraw/zinc/85/08/80/697850880.db2.gz OZTKUQOBOJRXKW-MRVPVSSYSA-N 0 0 188.271 1.768 20 0 ADADRN O=C(CCC1CC1)OCCCCO 379375003 697850963 /nfs/dbraw/zinc/85/09/63/697850963.db2.gz OCNAOXBDAHKOND-UHFFFAOYSA-N 0 0 186.251 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C[C@@H]1C[C@@]2(CCC(=O)O2)CS1 235416051 344749038 /nfs/dbraw/zinc/74/90/38/344749038.db2.gz DYVVKOBXCAUDLQ-SVRRBLITSA-N 0 0 172.249 1.588 20 0 ADADRN C[C@@H]1OCC[C@@]1(C)NCC(F)F 235438082 344750072 /nfs/dbraw/zinc/75/00/72/344750072.db2.gz BHZALLRYIYTUOW-POYBYMJQSA-N 0 0 179.210 1.409 20 0 ADADRN C[C@@H]1OCC[C@@]1(C)Nc1cnccn1 235472258 344751138 /nfs/dbraw/zinc/75/11/38/344751138.db2.gz KLOSYLRPLMTCMT-WCBMZHEXSA-N 0 0 193.250 1.456 20 0 ADADRN C=CC(=O)N[C@@H](C)C1CCOCC1 235497536 344752141 /nfs/dbraw/zinc/75/21/41/344752141.db2.gz XAJOPHOCQOVHNL-QMMMGPOBSA-N 0 0 183.251 1.104 20 0 ADADRN C[C@H](O)CSC[C@@H]1CCCO1 235532436 344752570 /nfs/dbraw/zinc/75/25/70/344752570.db2.gz AFXZCMSDBKXJNT-YUMQZZPRSA-N 0 0 176.281 1.279 20 0 ADADRN C[C@H](O)[C@H](C)Sc1ncc[nH]1 235530178 344752651 /nfs/dbraw/zinc/75/26/51/344752651.db2.gz WXWOCORBNCBCRK-WDSKDSINSA-N 0 0 172.253 1.271 20 0 ADADRN C[C@H](O)CS[C@H]1CCO[C@H]1C 235532674 344752705 /nfs/dbraw/zinc/75/27/05/344752705.db2.gz HAAYFPHYKASPEO-FXQIFTODSA-N 0 0 176.281 1.278 20 0 ADADRN C[C@H](O)CSC[C@H]1CCCO1 235532489 344752743 /nfs/dbraw/zinc/75/27/43/344752743.db2.gz AFXZCMSDBKXJNT-JGVFFNPUSA-N 0 0 176.281 1.279 20 0 ADADRN C[C@H](NC(=O)C(F)F)C1CCC1 235524209 344752769 /nfs/dbraw/zinc/75/27/69/344752769.db2.gz PAGGSLVJBMVXMZ-YFKPBYRVSA-N 0 0 177.194 1.556 20 0 ADADRN C[C@H](O)CS[C@@H]1CCO[C@H]1C 235532601 344752778 /nfs/dbraw/zinc/75/27/78/344752778.db2.gz HAAYFPHYKASPEO-BIIVOSGPSA-N 0 0 176.281 1.278 20 0 ADADRN Cc1nc(SC[C@H](C)O)oc1C 235533143 344752936 /nfs/dbraw/zinc/75/29/36/344752936.db2.gz XYVCMMBIYJBFGP-YFKPBYRVSA-N 0 0 187.264 1.764 20 0 ADADRN C[C@H](O)CSc1ncco1 235533272 344753198 /nfs/dbraw/zinc/75/31/98/344753198.db2.gz MFUQALGZVIFNLH-YFKPBYRVSA-N 0 0 159.210 1.148 20 0 ADADRN Cc1coc(SC[C@H](C)O)n1 235533173 344753210 /nfs/dbraw/zinc/75/32/10/344753210.db2.gz GMFSRVMFUVRWFY-LURJTMIESA-N 0 0 173.237 1.456 20 0 ADADRN C[C@H]1CCC[N@H+](CCF)[C@@H]1C(=O)[O-] 235543764 344753343 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235565172 344755328 /nfs/dbraw/zinc/75/53/28/344755328.db2.gz YNJSVCIIKUNLSS-NTSWFWBYSA-N 0 0 177.194 1.556 20 0 ADADRN C[C@H]1CC[C@@H](NC(=O)C(C)(C)O)C1 235564994 344755349 /nfs/dbraw/zinc/75/53/49/344755349.db2.gz PYRVKIGZROJLCI-JGVFFNPUSA-N 0 0 185.267 1.062 20 0 ADADRN C[C@H](O)CCSC[C@H]1CCCO1 235563134 344755375 /nfs/dbraw/zinc/75/53/75/344755375.db2.gz BMWBFVZZTSINJU-DTWKUNHWSA-N 0 0 190.308 1.670 20 0 ADADRN C[C@H](O)c1cn(C(C)(C)C)nn1 235561204 344755383 /nfs/dbraw/zinc/75/53/83/344755383.db2.gz XNEWSIICHHJKHK-LURJTMIESA-N 0 0 169.228 1.086 20 0 ADADRN C[C@H](O)CCS[C@@H](C)[C@@H](C)O 235563209 344755430 /nfs/dbraw/zinc/75/54/30/344755430.db2.gz QQYRVPZSDCRCKT-RNJXMRFFSA-N 0 0 178.297 1.260 20 0 ADADRN C[C@H]1CCC[C@H]1NC(=O)C(F)F 235566048 344755761 /nfs/dbraw/zinc/75/57/61/344755761.db2.gz OUBFYKKAJLKGMG-NTSWFWBYSA-N 0 0 177.194 1.556 20 0 ADADRN Cc1nn2c(c1C)NCC[C@@H]2C 235569709 344755838 /nfs/dbraw/zinc/75/58/38/344755838.db2.gz OISYLDCRPWRLHB-LURJTMIESA-N 0 0 165.240 1.877 20 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C[C@H]1CC(C)(C)C[C@H]1S(N)(=O)=O 235595018 344758451 /nfs/dbraw/zinc/75/84/51/344758451.db2.gz UKWIQGUQYDUIJE-NKWVEPMBSA-N 0 0 191.296 1.100 20 0 ADADRN C[C@H]1OCC[C@@]1(C)NCC(F)F 235595358 344758463 /nfs/dbraw/zinc/75/84/63/344758463.db2.gz BHZALLRYIYTUOW-HTRCEHHLSA-N 0 0 179.210 1.409 20 0 ADADRN C[C@H]1C[C@@H]1c1cc2n(n1)CCCN2 235598107 344758516 /nfs/dbraw/zinc/75/85/16/344758516.db2.gz ZRJUQOQJJXLILJ-YUMQZZPRSA-N 0 0 177.251 1.822 20 0 ADADRN C[C@H](O)[C@H](C)S[C@@H]1CCOC1 235594187 344758623 /nfs/dbraw/zinc/75/86/23/344758623.db2.gz DCKUARLXQYKRJW-BIIVOSGPSA-N 0 0 176.281 1.278 20 0 ADADRN C[C@H]1CC(C)(C)C[C@]1([NH3+])CC(=O)[O-] 235603888 344758812 /nfs/dbraw/zinc/75/88/12/344758812.db2.gz WTZJNVCRHAERSR-OIBJUYFYSA-N 0 0 185.267 1.615 20 0 ADADRN C[C@H]1CN(C(=O)C(F)F)C[C@@H]1C 235607954 344759123 /nfs/dbraw/zinc/75/91/23/344759123.db2.gz BXGCJRKFJQMOIS-WDSKDSINSA-N 0 0 177.194 1.366 20 0 ADADRN C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1C 235608128 344759244 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