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285.372 3.484 20 30 CGEDLN CC(C)(CCC#N)C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000806550882 630565643 /nfs/dbraw/zinc/56/56/43/630565643.db2.gz NVGRZOCPDKDKON-CXUHLZMHSA-N 0 2 275.308 3.049 20 30 CGEDLN N#CC(C(=O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000815899513 631830768 /nfs/dbraw/zinc/83/07/68/631830768.db2.gz SZGGUUXMLJOUIB-SNVBAGLBSA-N 0 2 281.340 3.166 20 30 CGEDLN N#C[C@H](C(=O)CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000815899513 631830771 /nfs/dbraw/zinc/83/07/71/631830771.db2.gz SZGGUUXMLJOUIB-SNVBAGLBSA-N 0 2 281.340 3.166 20 30 CGEDLN CCC(CC)(CNC(=O)C(F)C(F)(F)F)C(F)(F)F ZINC000871263380 633741502 /nfs/dbraw/zinc/74/15/02/633741502.db2.gz QGRCIQQWFFTAKY-ZCFIWIBFSA-N 0 2 297.214 3.372 20 30 CGEDLN CCC(CC)(CNC(=O)[C@@H](F)C(F)(F)F)C(F)(F)F ZINC000871263380 633741508 /nfs/dbraw/zinc/74/15/08/633741508.db2.gz QGRCIQQWFFTAKY-ZCFIWIBFSA-N 0 2 297.214 3.372 20 30 CGEDLN Cc1csc(C(C#N)C(=O)[C@@]2(C)CCC[C@H]2C)n1 ZINC000835035234 634327613 /nfs/dbraw/zinc/32/76/13/634327613.db2.gz 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CGEDLN Cc1[nH]c2ccc(Nc3scc([O-])c3C#N)cc2[nH+]1 ZINC001213071545 815219150 /nfs/dbraw/zinc/21/91/50/815219150.db2.gz XPAJDEUEZKLWFC-UHFFFAOYSA-N 0 2 270.317 3.254 20 30 CGEDLN N#CC1=C(Nc2cccc(-n3cccn3)c2)SCC1=O ZINC001174298783 808940644 /nfs/dbraw/zinc/94/06/44/808940644.db2.gz DOTULCNACGXXBN-UHFFFAOYSA-N 0 2 282.328 3.255 20 30 CGEDLN N#CC1=C(Nc2ccnc(C(F)(F)F)c2)SCC1=O ZINC001174362995 808976510 /nfs/dbraw/zinc/97/65/10/808976510.db2.gz YRMFKMSGLBEVCA-UHFFFAOYSA-N 0 2 285.250 3.483 20 30 CGEDLN N#CC1=C(Nc2ccc(F)c(F)c2F)SCC1=O ZINC001174966913 809221039 /nfs/dbraw/zinc/22/10/39/809221039.db2.gz DOYJIJMIWFXIRK-UHFFFAOYSA-N 0 2 270.235 3.486 20 30 CGEDLN C#CCSCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC001295860877 809494161 /nfs/dbraw/zinc/49/41/61/809494161.db2.gz BOFYBBZXXTUTPU-UHFFFAOYSA-N 0 2 290.171 3.004 20 30 CGEDLN N#CC[C@@H](C(=O)NOCc1ccc(F)cc1)c1ccccc1 ZINC001296234056 809501130 /nfs/dbraw/zinc/50/11/30/809501130.db2.gz PZLZLDSFSVKISI-MRXNPFEDSA-N 0 2 298.317 3.071 20 30 CGEDLN CCCCCCCCS(=O)(=O)Nc1ncc(F)s1 ZINC001187993007 810439970 /nfs/dbraw/zinc/43/99/70/810439970.db2.gz DQIVZWNADJJTET-UHFFFAOYSA-N 0 2 294.417 3.384 20 30 CGEDLN N#CC1=C(Nc2cc(F)c(F)c(F)c2N)SCC1=O ZINC001216010519 815660619 /nfs/dbraw/zinc/66/06/19/815660619.db2.gz KUDPEXXBSVTLCK-UHFFFAOYSA-N 0 2 285.250 3.068 20 30 CGEDLN Cc1cc(=O)[nH]c(O[C@H](C)c2cccc(F)c2)c1C#N ZINC001226222067 817302248 /nfs/dbraw/zinc/30/22/48/817302248.db2.gz UQFHTQRMCLRIGB-SNVBAGLBSA-N 0 2 272.279 3.246 20 30 CGEDLN Cc1cc(=O)[nH]c(O[C@H](C)c2c(F)cccc2F)c1C#N ZINC001226222029 817302651 /nfs/dbraw/zinc/30/26/51/817302651.db2.gz SOFZCYGGXRJBOB-SECBINFHSA-N 0 2 290.269 3.386 20 30 CGEDLN C=CC[C@H](CCCC)Oc1[nH]c(=O)nc2ncsc21 ZINC001227611783 817681353 /nfs/dbraw/zinc/68/13/53/817681353.db2.gz SFQPDFXWXDPYSJ-SECBINFHSA-N 0 2 279.365 3.306 20 30 CGEDLN N#C[C@H]1CCCN(Cc2ccc(Cl)c(O)c2Cl)C1 ZINC001232629033 818405229 /nfs/dbraw/zinc/40/52/29/818405229.db2.gz ZPLPDEABGANFDD-SECBINFHSA-N 0 2 285.174 3.435 20 30 CGEDLN 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3.213 20 30 CGEDLN CC(C)c1csc([C@@H](C#N)C(=O)c2ccsn2)n1 ZINC000575878026 335127539 /nfs/dbraw/zinc/12/75/39/335127539.db2.gz MXTQGQGGTABNTD-QMMMGPOBSA-N 0 2 277.374 3.213 20 30 CGEDLN CCCC[C@H]1CCCC1N=Nc1nc(C)cc(=O)[nH]1 ZINC000727252063 571734224 /nfs/dbraw/zinc/73/42/24/571734224.db2.gz PCHYOHRJWUXWRO-NSHDSACASA-N 0 2 262.357 3.249 20 30 CGEDLN Cc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1O ZINC000728231219 571797337 /nfs/dbraw/zinc/79/73/37/571797337.db2.gz KEGIZVZRTFMTMX-GORDUTHDSA-N 0 2 299.282 3.211 20 30 CGEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)C(C)(C)C)n1 ZINC000734704172 572679703 /nfs/dbraw/zinc/67/97/03/572679703.db2.gz NKTRLPAZNFNCGM-NXEZZACHSA-N 0 2 250.367 3.310 20 30 CGEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000120836213 617814000 /nfs/dbraw/zinc/81/40/00/617814000.db2.gz NEZUESWWBRAETR-SBSYXSKNSA-N 0 2 282.299 3.275 20 30 CGEDLN C#CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1O ZINC000804834906 617863170 /nfs/dbraw/zinc/86/31/70/617863170.db2.gz 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629806050 /nfs/dbraw/zinc/80/60/50/629806050.db2.gz GIRZZAMLKPHXTF-GFCCVEGCSA-N 0 2 292.404 3.081 20 30 CGEDLN Cc1csc(C(C#N)C(=O)[C@H](c2cccnc2)C(C)C)n1 ZINC000797938678 630004255 /nfs/dbraw/zinc/00/42/55/630004255.db2.gz HKCVKHFYIMQGQP-KBPBESRZSA-N 0 2 299.399 3.463 20 30 CGEDLN CC(C)n1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)nn1 ZINC000806572475 630567971 /nfs/dbraw/zinc/56/79/71/630567971.db2.gz GUGGIUDHHSNARK-XQRVVYSFSA-N 0 2 291.738 3.114 20 30 CGEDLN O=C1c2ccc(O)c(F)c2C/C1=C\c1cccc(O)c1 ZINC000806575203 630568702 /nfs/dbraw/zinc/56/87/02/630568702.db2.gz TXARCZGKFRTIIW-UXBLZVDNSA-N 0 2 270.259 3.059 20 30 CGEDLN Cc1csc([C@H](C#N)C(=O)C2CC3(CCC3)C2)n1 ZINC000842677703 635437591 /nfs/dbraw/zinc/43/75/91/635437591.db2.gz GDYCXRFMHSHDOU-LLVKDONJSA-N 0 2 260.362 3.208 20 30 CGEDLN N#CC(=C(O)C=CC1CC1)c1nc(C2CC2)cs1 ZINC000842941693 635521500 /nfs/dbraw/zinc/52/15/00/635521500.db2.gz SQFXZUCNQUFJBK-ZXCPCRMDSA-N 0 2 258.346 3.163 20 30 CGEDLN N#C[C@@H](C(=O)C=Cc1cccnc1)c1nc(C2CC2)cs1 ZINC000842941879 635521965 /nfs/dbraw/zinc/52/19/65/635521965.db2.gz UACSICGTZLUVBE-YIALFULDSA-N 0 2 295.367 3.305 20 30 CGEDLN C=C[C@@H](C)ONC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000846550415 636199831 /nfs/dbraw/zinc/19/98/31/636199831.db2.gz RYTCTTRFGNADTM-SNVBAGLBSA-N 0 2 281.302 3.009 20 30 CGEDLN COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000129511059 636289543 /nfs/dbraw/zinc/28/95/43/636289543.db2.gz QLJKEXWDLVPUHK-SOFGYWHQSA-N 0 2 299.282 3.205 20 30 CGEDLN N#C[C@@H](C(=O)C1CCC1)c1nc(-c2ccncc2)cs1 ZINC000114620661 638393603 /nfs/dbraw/zinc/39/36/03/638393603.db2.gz SWGHAACQXADSHW-LBPRGKRZSA-N 0 2 283.356 3.181 20 30 CGEDLN CC(C)c1csc(C(C#N)C(=O)C[C@@H]2CCCCO2)n1 ZINC000088817892 640625190 /nfs/dbraw/zinc/62/51/90/640625190.db2.gz DYFDWDKNEBXGGD-NWDGAFQWSA-N 0 2 292.404 3.402 20 30 CGEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCCCO2)n1 ZINC000088817892 640625198 /nfs/dbraw/zinc/62/51/98/640625198.db2.gz DYFDWDKNEBXGGD-NWDGAFQWSA-N 0 2 292.404 3.402 20 30 CGEDLN 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