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572587057 /nfs/dbraw/zinc/58/70/57/572587057.db2.gz GTKGFFGVIPZZOA-JTQLQIEISA-N 0 0 198.262 2.000 10 70 ADIERN CCCOC[C@H](O)c1cc(C)nn1C 160980793 572612611 /nfs/dbraw/zinc/61/26/11/572612611.db2.gz DQRPPHIHHMRTCW-JTQLQIEISA-N 0 0 198.266 1.189 10 70 ADIERN C[C@]1(C(=O)N=[N+]=[N-])C[C@H]1C(=O)N=[N+]=[N-] 238455008 572723596 /nfs/dbraw/zinc/72/35/96/572723596.db2.gz YUHZSFPKVHLDDO-DZSWIPIPSA-N 0 0 194.154 1.686 10 70 ADIERN C[C@]1(C(=O)N=[N+]=[N-])C[C@@H]1C(=O)N=[N+]=[N-] 238454996 572725029 /nfs/dbraw/zinc/72/50/29/572725029.db2.gz YUHZSFPKVHLDDO-CVYQJGLWSA-N 0 0 194.154 1.686 10 70 ADIERN C[C@@]1(C(=O)N=[N+]=[N-])C[C@@H]1C(=O)N=[N+]=[N-] 238474073 572742256 /nfs/dbraw/zinc/74/22/56/572742256.db2.gz YUHZSFPKVHLDDO-AWFVSMACSA-N 0 0 194.154 1.686 10 70 ADIERN C[C@@]1(C(=O)N=[N+]=[N-])C[C@H]1C(=O)N=[N+]=[N-] 238474111 572742322 /nfs/dbraw/zinc/74/23/22/572742322.db2.gz YUHZSFPKVHLDDO-BBIVZNJYSA-N 0 0 194.154 1.686 10 70 ADIERN C[SiH](C)O[C@H](C=O)CC(C)(C)C 238510832 572755134 /nfs/dbraw/zinc/75/51/34/572755134.db2.gz DPJZBHVMHMWENT-QMMMGPOBSA-N 0 0 188.343 1.990 10 70 ADIERN C[SiH](CCCO)c1ccccc1 238511839 572756673 /nfs/dbraw/zinc/75/66/73/572756673.db2.gz CPZXTHXCAXOHFE-UHFFFAOYSA-N 0 0 180.323 1.133 10 70 ADIERN [N-]=[N+]=NC(=O)[C@@H]1CC[C@H]1C(=O)N=[N+]=[N-] 238596245 572859283 /nfs/dbraw/zinc/85/92/83/572859283.db2.gz CVGOGPHLLWDJJI-QWWZWVQMSA-N 0 0 194.154 1.686 10 70 ADIERN [N-]=[N+]=NC(=O)[C@H]1CC[C@H]1C(=O)N=[N+]=[N-] 238597142 572859522 /nfs/dbraw/zinc/85/95/22/572859522.db2.gz CVGOGPHLLWDJJI-ZXZARUISSA-N 0 0 194.154 1.686 10 70 ADIERN [N-]=[N+]=NC(=O)[C@H]1CC[C@@H]1C(=O)N=[N+]=[N-] 238597111 572860222 /nfs/dbraw/zinc/86/02/22/572860222.db2.gz CVGOGPHLLWDJJI-IMJSIDKUSA-N 0 0 194.154 1.686 10 70 ADIERN CC(C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-] 238087804 572928159 /nfs/dbraw/zinc/92/81/59/572928159.db2.gz PEFZHLYAJQDEEQ-UHFFFAOYSA-N 0 0 168.116 1.296 10 70 ADIERN CCC[C@@H](O)C#C[SiH](C)CC 238252961 573013236 /nfs/dbraw/zinc/01/32/36/573013236.db2.gz DCXLZLDWGGWOKM-BFHBGLAWSA-N 0 0 170.328 1.567 10 70 ADIERN CCC[C@@H](O)C#C[SiH](C)C 238252950 573016098 /nfs/dbraw/zinc/01/60/98/573016098.db2.gz YDYMFMPNXPWUTR-MRVPVSSYSA-N 0 0 156.301 1.177 10 70 ADIERN CCC[C@H](O)C#C[SiH](C)CC 238259893 573054425 /nfs/dbraw/zinc/05/44/25/573054425.db2.gz DCXLZLDWGGWOKM-FTNKSUMCSA-N 0 0 170.328 1.567 10 70 ADIERN CCC[C@H](O)C#C[SiH](C)C 238259886 573055697 /nfs/dbraw/zinc/05/56/97/573055697.db2.gz YDYMFMPNXPWUTR-QMMMGPOBSA-N 0 0 156.301 1.177 10 70 ADIERN Cc1ncc(C)c(N(C)C)n1 218524333 573122735 /nfs/dbraw/zinc/12/27/35/573122735.db2.gz BJQQCXCIEKHODS-UHFFFAOYSA-N 0 0 151.213 1.159 10 70 ADIERN CO[C@H](C)C(=O)OCC(F)(F)F 218545716 573123022 /nfs/dbraw/zinc/12/30/22/573123022.db2.gz RQGAVAOBECQLJK-SCSAIBSYSA-N 0 0 186.129 1.127 10 70 ADIERN COCO[C@H](C(C)C)[C@H](C)CO 218587614 573125410 /nfs/dbraw/zinc/12/54/10/573125410.db2.gz PIBOUSUGXFFPJD-RKDXNWHRSA-N 0 0 176.256 1.260 10 70 ADIERN CCO[C@H](C)C(=O)OC[C@@H](F)CC 218523798 573124743 /nfs/dbraw/zinc/12/47/43/573124743.db2.gz QKMDLHLUICGENA-SFYZADRCSA-N 0 0 192.230 1.703 10 70 ADIERN CCc1n[nH]c(=O)n1C1CCCC1 218523563 573125267 /nfs/dbraw/zinc/12/52/67/573125267.db2.gz WURFINXLVZXCHK-UHFFFAOYSA-N 0 0 181.239 1.249 10 70 ADIERN CCC(CC)(OC)C(=O)COC 159365467 573169895 /nfs/dbraw/zinc/16/98/95/573169895.db2.gz MOYPFXGNPJZGKA-UHFFFAOYSA-N 0 0 174.240 1.407 10 70 ADIERN CCOCC(=O)C(CC)(CC)OC 159372349 573171788 /nfs/dbraw/zinc/17/17/88/573171788.db2.gz FPQRREVQMBLPEW-UHFFFAOYSA-N 0 0 188.267 1.797 10 70 ADIERN CCOC1(C(=O)COC)CCCC1 159379519 573173949 /nfs/dbraw/zinc/17/39/49/573173949.db2.gz FRAYZJORPUCZPU-UHFFFAOYSA-N 0 0 186.251 1.551 10 70 ADIERN CC[C@H](CO)NC(=O)Nc1ccco1 217271967 573221807 /nfs/dbraw/zinc/22/18/07/573221807.db2.gz QIOPHYOPZZXPCA-SSDOTTSWSA-N 0 0 198.222 1.172 10 70 ADIERN CC(C)NC(=O)NC(F)(F)F 217266596 573230647 /nfs/dbraw/zinc/23/06/47/573230647.db2.gz DOFRIONTBIYBTB-UHFFFAOYSA-N 0 0 170.134 1.214 10 70 ADIERN O=C(NC(F)(F)F)N1CCCCC1 217266756 573233748 /nfs/dbraw/zinc/23/37/48/573233748.db2.gz PKXYXKVJJTVFJQ-UHFFFAOYSA-N 0 0 196.172 1.702 10 70 ADIERN CC(C)[C@]1(C)CCC(=O)N1 218025227 573272517 /nfs/dbraw/zinc/27/25/17/573272517.db2.gz HEUXQNHCNDDNMO-QMMMGPOBSA-N 0 0 141.214 1.311 10 70 ADIERN CC(C)CCNC(=O)NC(F)(F)F 217267109 573280242 /nfs/dbraw/zinc/28/02/42/573280242.db2.gz DUPWFQDEVMOCJE-UHFFFAOYSA-N 0 0 198.188 1.852 10 70 ADIERN COC(=O)[C@](C)(O)C1CCCC1 216848824 573345304 /nfs/dbraw/zinc/34/53/04/573345304.db2.gz XWAUYIVXXNDQBR-SECBINFHSA-N 0 0 172.224 1.101 10 70 ADIERN C[C@H](CO)C[SiH](C)C 238432395 573566572 /nfs/dbraw/zinc/56/65/72/573566572.db2.gz NUSZMRQIXMUVCI-ZCFIWIBFSA-N 0 0 132.279 1.102 10 70 ADIERN C[C@H](C[SiH](C)C)[C@@H](C)O 238444103 573571369 /nfs/dbraw/zinc/57/13/69/573571369.db2.gz GIWAFEXAZJJFLB-RNFRBKRXSA-N 0 0 146.306 1.490 10 70 ADIERN C[C@H](O)c1ccc([SiH](C)C)cc1 238440871 573580483 /nfs/dbraw/zinc/58/04/83/573580483.db2.gz BGWQSOZKFAOZKW-QMMMGPOBSA-N 0 0 180.323 1.434 10 70 ADIERN CCc1nnc(C)cc1[C@H](O)COC 161003845 573623042 /nfs/dbraw/zinc/62/30/42/573623042.db2.gz FKIMPZLIGIIGGT-SNVBAGLBSA-N 0 0 196.250 1.027 10 70 ADIERN COC(OC)/C(C)=C/C=C\CO 217060829 573633239 /nfs/dbraw/zinc/63/32/39/573633239.db2.gz RSUYBLVYGAPLFK-GSGSLZOQSA-N 0 0 172.224 1.100 10 70 ADIERN Nc1n[nH]c(C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 217385363 573673717 /nfs/dbraw/zinc/67/37/17/573673717.db2.gz ASIDFRLGKGMBGB-RNJXMRFFSA-N 0 0 192.266 1.366 10 70 ADIERN COC(=O)[C@@](C)(OC)C(F)(F)F 217105841 573681007 /nfs/dbraw/zinc/68/10/07/573681007.db2.gz YGTZZDCIBPSTNP-RXMQYKEDSA-N 0 0 186.129 1.127 10 70 ADIERN C[C@H](O)[C@H](C)C[SiH](C)C 238481888 573695516 /nfs/dbraw/zinc/69/55/16/573695516.db2.gz GIWAFEXAZJJFLB-RQJHMYQMSA-N 0 0 146.306 1.490 10 70 ADIERN C[C@H](O)C/C=C/C/C=C\CCO 218304597 573758808 /nfs/dbraw/zinc/75/88/08/573758808.db2.gz LLPJPHSFYFJUKP-LUBWKUPPSA-N 0 0 170.252 1.642 10 70 ADIERN C[SiH](C)[C@@H]1C=CCC(=O)C1 238511424 573772375 /nfs/dbraw/zinc/77/23/75/573772375.db2.gz NPIANZABVYPKMX-MRVPVSSYSA-N 0 0 154.285 1.762 10 70 ADIERN CC1=CC[C@@H](O)C[C@H]1[SiH](C)C 238511384 573772034 /nfs/dbraw/zinc/77/20/34/573772034.db2.gz VTKHXYQZFFTKCO-RKDXNWHRSA-N 0 0 170.328 1.944 10 70 ADIERN CCCC/C=C\C[C@@H](O)C(=O)OC 216648144 573982045 /nfs/dbraw/zinc/98/20/45/573982045.db2.gz KYZDKDXXSMQFQZ-ATJFRQLMSA-N 0 0 186.251 1.657 10 70 ADIERN C[C@H](OC(=O)c1ccncc1)[C@@H](C)O 216803870 573999175 /nfs/dbraw/zinc/99/91/75/573999175.db2.gz KLIMOINOISCGPJ-SFYZADRCSA-N 0 0 195.218 1.008 10 70 ADIERN CCC[C@@]1(C(=O)OC)CCC[C@@H]1O 217684422 574030277 /nfs/dbraw/zinc/03/02/77/574030277.db2.gz XOTWBPBEJMVINJ-WCBMZHEXSA-N 0 0 186.251 1.491 10 70 ADIERN CC(C)[SiH](c1ncccn1)C(C)C 584622378 487295210 /nfs/dbraw/zinc/29/52/10/487295210.db2.gz PMDCMPBYFLOEEP-UHFFFAOYSA-N 0 0 194.354 1.731 10 70 ADIERN C/C=C/C=C\C(=O)NCC1CC(O)C1 217723243 582669563 /nfs/dbraw/zinc/66/95/63/582669563.db2.gz IQVWNNBNCHHRAH-IAROGAJJSA-N 0 0 195.262 1.006 10 70 ADIERN CCCOC(=O)[C@H]1CCC=CO1 217560516 582710502 /nfs/dbraw/zinc/71/05/02/582710502.db2.gz CRWUPXBNZGMYCG-MRVPVSSYSA-N 0 0 170.208 1.632 10 70 ADIERN CC/C=C(\C)C(=O)NCC1CC(O)C1 217708833 583490668 /nfs/dbraw/zinc/49/06/68/583490668.db2.gz AZTPUPSGVHLQER-XBXARRHUSA-N 0 0 197.278 1.230 10 70 ADIERN C/C=C/C=C\C(=O)NCC[C@@H](C)O 217776517 583490771 /nfs/dbraw/zinc/49/07/71/583490771.db2.gz GLSJWOOIBCVCSX-WUYIJIDZSA-N 0 0 183.251 1.006 10 70 ADIERN CC/C=C(\C)C(=O)NCC[C@@H](C)O 218298459 583491755 /nfs/dbraw/zinc/49/17/55/583491755.db2.gz BTFATMRNXDYZNL-WHXYTISESA-N 0 0 185.267 1.230 10 70 ADIERN CON(C)C(=O)[C@@H](C)CC(C)C 218273556 583491762 /nfs/dbraw/zinc/49/17/62/583491762.db2.gz QUDVXTXNMSOCPL-QMMMGPOBSA-N 0 0 173.256 1.688 10 70 ADIERN CCC[C@H](C)C(=O)O[C@H](C)C(C)=O 218256704 583491807 /nfs/dbraw/zinc/49/18/07/583491807.db2.gz GGLBQNKSFPJGNU-IONNQARKSA-N 0 0 186.251 1.943 10 70 ADIERN CCC[C@@H](C)C(=O)O[C@H](C)C(C)=O 218256627 583491859 /nfs/dbraw/zinc/49/18/59/583491859.db2.gz GGLBQNKSFPJGNU-VXNVDRBHSA-N 0 0 186.251 1.943 10 70 ADIERN C1=C(c2c[nH]cn2)CCOC1 218202421 583491875 /nfs/dbraw/zinc/49/18/75/583491875.db2.gz GZLYWPQURIWMPB-UHFFFAOYSA-N 0 0 150.181 1.213 10 70 ADIERN CCC[C@H](C)C(=O)O[C@@H](C)C(C)=O 218256546 583491978 /nfs/dbraw/zinc/49/19/78/583491978.db2.gz GGLBQNKSFPJGNU-CBAPKCEASA-N 0 0 186.251 1.943 10 70 ADIERN CC(=O)COC(=O)c1cccc(C)c1 218236459 583492009 /nfs/dbraw/zinc/49/20/09/583492009.db2.gz DGMKMVZGZZWRSL-UHFFFAOYSA-N 0 0 192.214 1.741 10 70 ADIERN COc1ccc2c(c1)CC[C@@H]2C(N)=O 218729952 583492997 /nfs/dbraw/zinc/49/29/97/583492997.db2.gz BJDIETWJHYIUPG-JTQLQIEISA-N 0 0 191.230 1.210 10 70 ADIERN COc1ccc2c(c1)CC[C@H]2C(N)=O 218730015 583493181 /nfs/dbraw/zinc/49/31/81/583493181.db2.gz BJDIETWJHYIUPG-SNVBAGLBSA-N 0 0 191.230 1.210 10 70 ADIERN CC[C@@H](CO)NC(=O)[C@H]1CCC[C@H]1C 217850539 490069105 /nfs/dbraw/zinc/06/91/05/490069105.db2.gz ZHVFZBKQVYFUQG-UTLUCORTSA-N 0 0 199.294 1.310 10 70 ADIERN CC[C@@H](CO)NC(=O)[C@H]1CCC[C@@H]1C 217850371 490069315 /nfs/dbraw/zinc/06/93/15/490069315.db2.gz ZHVFZBKQVYFUQG-GUBZILKMSA-N 0 0 199.294 1.310 10 70 ADIERN CCC[C@H]1C[C@H]1NC(=O)N(C)CC 218005549 490069324 /nfs/dbraw/zinc/06/93/24/490069324.db2.gz NHJDALJWSXWSBP-DTWKUNHWSA-N 0 0 184.283 1.836 10 70 ADIERN CC[C@@H](CO)NC(=O)[C@@H]1CCC[C@H]1C 217850450 490069328 /nfs/dbraw/zinc/06/93/28/490069328.db2.gz ZHVFZBKQVYFUQG-KXUCPTDWSA-N 0 0 199.294 1.310 10 70 ADIERN CCC[C@@H]1C[C@@H]1NC(=O)N(C)CC 218005297 490069351 /nfs/dbraw/zinc/06/93/51/490069351.db2.gz NHJDALJWSXWSBP-BDAKNGLRSA-N 0 0 184.283 1.836 10 70 ADIERN CC[C@@H](CO)NC(=O)[C@@H]1CCC[C@@H]1C 217850344 490069432 /nfs/dbraw/zinc/06/94/32/490069432.db2.gz ZHVFZBKQVYFUQG-LPEHRKFASA-N 0 0 199.294 1.310 10 70 ADIERN CCC[C@H]1C[C@@H]1NC(=O)N(C)CC 218005372 490069441 /nfs/dbraw/zinc/06/94/41/490069441.db2.gz NHJDALJWSXWSBP-IUCAKERBSA-N 0 0 184.283 1.836 10 70 ADIERN CC(C)(C)/C=C/C1OCCO1 218642664 166343096 /nfs/dbraw/zinc/34/30/96/166343096.db2.gz QJLZPDHYOVUWLK-SNAWJCMRSA-N 0 0 156.225 1.962 10 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Nc1ncc(CC[C@@H]2CCCO2)s1 159883363 344154027 /nfs/dbraw/zinc/15/40/27/344154027.db2.gz PKZKGGJEHGWOKA-ZETCQYMHSA-N 0 0 198.291 1.837 10 70 ADIERN Cc1cc(F)ccc1-n1[nH]ccc1=O 159948591 344154988 /nfs/dbraw/zinc/15/49/88/344154988.db2.gz WDOSMYPJMCRITR-UHFFFAOYSA-N 0 0 192.193 1.857 10 70 ADIERN Cc1ccccc1Cn1[nH]ccc1=O 159945733 344155040 /nfs/dbraw/zinc/15/50/40/344155040.db2.gz ILIZDYLSCAKEJS-UHFFFAOYSA-N 0 0 188.230 1.945 10 70 ADIERN Cc1c(C(=O)c2ccco2)cnn1C 159981985 344155948 /nfs/dbraw/zinc/15/59/48/344155948.db2.gz KHVHZDWZAXMVNW-UHFFFAOYSA-N 0 0 190.202 1.553 10 70 ADIERN C[C@]1(Nc2cccnn2)CCOC1 160079317 344158239 /nfs/dbraw/zinc/15/82/39/344158239.db2.gz ANHCQIICULVPOM-VIFPVBQESA-N 0 0 179.223 1.068 10 70 ADIERN COc1cccnc1N[C@H]1C[C@@H]1C 160229713 344160709 /nfs/dbraw/zinc/16/07/09/344160709.db2.gz MSFZMMQNWKXGPY-YUMQZZPRSA-N 0 0 178.235 1.911 10 70 ADIERN COc1cc(C)c2nc[nH]c(=O)c2c1 160093011 344158250 /nfs/dbraw/zinc/15/82/50/344158250.db2.gz KVHFHOBIJPYZKH-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/16/15/93/344161593.db2.gz XSWAOUKDUHRRGZ-UHFFFAOYSA-N 0 0 192.193 1.679 10 70 ADIERN Cc1c(F)ccc2c(=O)[nH][nH]c12 160272237 344161641 /nfs/dbraw/zinc/16/16/41/344161641.db2.gz COLIDOCSTSDLOO-UHFFFAOYSA-N 0 0 166.155 1.304 10 70 ADIERN Cc1cc2c(=O)[nH][nH]c2cc1F 160273905 344161732 /nfs/dbraw/zinc/16/17/32/344161732.db2.gz YJTXGEOAXOZANY-UHFFFAOYSA-N 0 0 166.155 1.304 10 70 ADIERN C=CS(=O)(=O)c1ncccc1OC 160270015 344161738 /nfs/dbraw/zinc/16/17/38/344161738.db2.gz MPEKDPRPVNJMSM-UHFFFAOYSA-N 0 0 199.231 1.007 10 70 ADIERN O=C(CC1CCC1)c1csnn1 160315661 344162512 /nfs/dbraw/zinc/16/25/12/344162512.db2.gz SBAYYNDRVAVVEL-UHFFFAOYSA-N 0 0 182.248 1.911 10 70 ADIERN Cc1cccc(F)c1NC1COC1 160301678 344162664 /nfs/dbraw/zinc/16/26/64/344162664.db2.gz XJRHLJWIJLKYIM-UHFFFAOYSA-N 0 0 181.210 1.945 10 70 ADIERN COCCNc1ncc(F)cc1F 160368091 344163179 /nfs/dbraw/zinc/16/31/79/344163179.db2.gz FCJYGVLKUZTBQC-UHFFFAOYSA-N 0 0 188.177 1.418 10 70 ADIERN O=C(CC1CC1)c1cnns1 160373695 344163745 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160425289 344165606 /nfs/dbraw/zinc/16/56/06/344165606.db2.gz RPNURRLRHUVLTI-UHFFFAOYSA-N 0 0 195.266 1.622 10 70 ADIERN Cc1cnc(NC[C@H]2C[C@@H]2C)nc1 160423000 344165798 /nfs/dbraw/zinc/16/57/98/344165798.db2.gz PLGCIVZZYLNLIG-DTWKUNHWSA-N 0 0 177.251 1.853 10 70 ADIERN Cc1cnc(NC[C@@H]2C[C@H]2C)nc1 160423133 344165918 /nfs/dbraw/zinc/16/59/18/344165918.db2.gz PLGCIVZZYLNLIG-BDAKNGLRSA-N 0 0 177.251 1.853 10 70 ADIERN CNc1nc(-c2ccoc2C)no1 160435855 344165924 /nfs/dbraw/zinc/16/59/24/344165924.db2.gz ITMPWTLRHRLCQX-UHFFFAOYSA-N 0 0 179.179 1.680 10 70 ADIERN Cc1nc(-c2ccc[nH]2)[nH]c(=O)c1C 160440239 344166228 /nfs/dbraw/zinc/16/62/28/344166228.db2.gz WENOZUNNBORDMG-UHFFFAOYSA-N 0 0 189.218 1.382 10 70 ADIERN CC(=O)c1nc(-c2ccoc2C)no1 160448487 344166299 /nfs/dbraw/zinc/16/62/99/344166299.db2.gz GHLXRTXNOAQLRZ-UHFFFAOYSA-N 0 0 192.174 1.841 10 70 ADIERN CC(=O)c1nc(-c2ccc[nH]2)no1 160482206 344166849 /nfs/dbraw/zinc/16/68/49/344166849.db2.gz FBJRQRPUDZKJLH-UHFFFAOYSA-N 0 0 177.163 1.267 10 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ADIERN CO[C@@H](C)C(=O)NCCC1CCCC1 160519622 344168145 /nfs/dbraw/zinc/16/81/45/344168145.db2.gz NQPRGGDFALAUTJ-VIFPVBQESA-N 0 0 199.294 1.718 10 70 ADIERN CO[C@H](C)C(=O)NCCC1CCCC1 160519748 344168183 /nfs/dbraw/zinc/16/81/83/344168183.db2.gz NQPRGGDFALAUTJ-SECBINFHSA-N 0 0 199.294 1.718 10 70 ADIERN C/C=C/CCNc1ncns1 160526959 344168366 /nfs/dbraw/zinc/16/83/66/344168366.db2.gz PMIHDQBWQVVECU-NSCUHMNNSA-N 0 0 169.253 1.916 10 70 ADIERN CSC[C@@H](C)Nc1ncns1 160527880 344168398 /nfs/dbraw/zinc/16/83/98/344168398.db2.gz UIQORVCVIQEAJW-RXMQYKEDSA-N 0 0 189.309 1.702 10 70 ADIERN C1=CCC(Nc2ncns2)C1 160531049 344168628 /nfs/dbraw/zinc/16/86/28/344168628.db2.gz UOEHGQTUIWABLC-UHFFFAOYSA-N 0 0 167.237 1.669 10 70 ADIERN c1nsc(NCc2ccoc2)n1 160525277 344168632 /nfs/dbraw/zinc/16/86/32/344168632.db2.gz QXDCVMYTTLPPHE-UHFFFAOYSA-N 0 0 181.220 1.743 10 70 ADIERN CSC[C@H](C)Nc1ncns1 160527754 344168707 /nfs/dbraw/zinc/16/87/07/344168707.db2.gz UIQORVCVIQEAJW-YFKPBYRVSA-N 0 0 189.309 1.702 10 70 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C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1cn[nH]c1 218016455 344408782 /nfs/dbraw/zinc/40/87/82/344408782.db2.gz NZKWHSUSGREGHA-FXBDTBDDSA-N 0 0 175.235 1.786 10 70 ADIERN CCc1ncnc(N[C@@H]2C[C@H]2C)c1F 218003809 344408977 /nfs/dbraw/zinc/40/89/77/344408977.db2.gz KXSBQTMJCIAXHK-HTRCEHHLSA-N 0 0 195.241 1.998 10 70 ADIERN Cc1ncnc(NCC(F)F)c1F 218061413 344409172 /nfs/dbraw/zinc/40/91/72/344409172.db2.gz WQHNZAHWANSUJP-UHFFFAOYSA-N 0 0 191.156 1.601 10 70 ADIERN CC(=O)N[C@@H](C)c1ccc(O)c(F)c1 218078532 344409595 /nfs/dbraw/zinc/40/95/95/344409595.db2.gz IRUBZYYUXNIGIN-LURJTMIESA-N 0 0 197.209 1.728 10 70 ADIERN CC(=O)N[C@H](C)c1ccc(O)c(F)c1 218078616 344409901 /nfs/dbraw/zinc/40/99/01/344409901.db2.gz IRUBZYYUXNIGIN-ZCFIWIBFSA-N 0 0 197.209 1.728 10 70 ADIERN COC(=O)CSCCC(C)C 218181763 344410124 /nfs/dbraw/zinc/41/01/24/344410124.db2.gz FEWJAPCKOJLYEJ-UHFFFAOYSA-N 0 0 176.281 1.939 10 70 ADIERN CNC(=O)Nc1ccncc1C 218181861 344410313 /nfs/dbraw/zinc/41/03/13/344410313.db2.gz 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218594569 344413861 /nfs/dbraw/zinc/41/38/61/344413861.db2.gz HELHFWRPOOMKMP-UHFFFAOYSA-N 0 0 182.223 1.375 10 70 ADIERN CC(C)c1noc(C[C@@H]2CCCO2)n1 218593017 344413938 /nfs/dbraw/zinc/41/39/38/344413938.db2.gz AYMBBLDHFCYKHZ-QMMMGPOBSA-N 0 0 196.250 1.915 10 70 ADIERN COc1ccc(OC)c2c1OCCO2 218605086 344414146 /nfs/dbraw/zinc/41/41/46/344414146.db2.gz VLEKXTRWQAORHF-UHFFFAOYSA-N 0 0 196.202 1.475 10 70 ADIERN Cc1cnc(OC(F)F)cn1 218620682 344414378 /nfs/dbraw/zinc/41/43/78/344414378.db2.gz GGNQNUUGVFDFHF-UHFFFAOYSA-N 0 0 160.123 1.386 10 70 ADIERN Cc1cc2c3c(c1)[nH]c(=O)n3CCC2 218655354 344415025 /nfs/dbraw/zinc/41/50/25/344415025.db2.gz ATFRZRNIVCLOGO-UHFFFAOYSA-N 0 0 188.230 1.584 10 70 ADIERN C[SiH](C)c1ccc(C#N)cc1 227635637 344540889 /nfs/dbraw/zinc/54/08/89/344540889.db2.gz DBFKAFPQGBGMCT-UHFFFAOYSA-N 0 0 161.280 1.252 10 70 ADIERN CC(=O)c1ccc([SiH](C)C)cc1 238511576 344810021 /nfs/dbraw/zinc/81/00/21/344810021.db2.gz WCMFAKBABYBTCF-UHFFFAOYSA-N 0 0 178.307 1.583 10 70 ADIERN C[SiH](C)C#C[C@H](O)c1ccccc1 238510403 344810129 /nfs/dbraw/zinc/81/01/29/344810129.db2.gz POTQDVIPYJEJIE-NSHDSACASA-N 0 0 190.318 1.749 10 70 ADIERN C[SiH](C)Cc1ccccn1 584608121 346724471 /nfs/dbraw/zinc/72/44/71/346724471.db2.gz SJKLBWFEGLJHFM-UHFFFAOYSA-N 0 0 151.285 1.650 10 70 ADIERN CCc1ccccc1[SiH](C)C 584608013 346724521 /nfs/dbraw/zinc/72/45/21/346724521.db2.gz HRMZDOARESUUEI-UHFFFAOYSA-N 0 0 164.324 1.943 10 70 ADIERN CCc1cc(OC)ccc1[SiH](C)C 584608166 346724564 /nfs/dbraw/zinc/72/45/64/346724564.db2.gz XJECEPXWEDGUQF-UHFFFAOYSA-N 0 0 194.350 1.951 10 70 ADIERN C[SiH](C)c1ccc(F)cc1 584609061 346725134 /nfs/dbraw/zinc/72/51/34/346725134.db2.gz HENFAQZZEAIQKR-UHFFFAOYSA-N 0 0 154.260 1.519 10 70 ADIERN Cc1ccccc1[SiH](C)C 584610391 346727077 /nfs/dbraw/zinc/72/70/77/346727077.db2.gz OZCXXIOXDHVIRK-UHFFFAOYSA-N 0 0 150.297 1.689 10 70 ADIERN CC(C)N([SiH3])c1ccccc1 584641875 346739243 /nfs/dbraw/zinc/73/92/43/346739243.db2.gz NHVQPWLWFWXLKP-UHFFFAOYSA-N 0 0 165.312 1.182 10 70 ADIERN Nc1ncc([C@H]2CCOC2)s1 159870876 351755561 /nfs/dbraw/zinc/75/55/61/351755561.db2.gz NFTULFIVZBPYCL-YFKPBYRVSA-N 0 0 170.237 1.229 10 70 ADIERN Nc1ncc([C@@H]2CCOC2)s1 159870743 351755718 /nfs/dbraw/zinc/75/57/18/351755718.db2.gz NFTULFIVZBPYCL-RXMQYKEDSA-N 0 0 170.237 1.229 10 70 ADIERN Nc1nnc(SC2CC2)s1 160567414 351757204 /nfs/dbraw/zinc/75/72/04/351757204.db2.gz PBBWOZAHEGNNAH-UHFFFAOYSA-N 0 0 173.266 1.375 10 70 ADIERN CCSc1ccc([SiH](C)C)cn1 216009520 351787305 /nfs/dbraw/zinc/78/73/05/351787305.db2.gz BQHMIPMIXCLXEE-UHFFFAOYSA-N 0 0 197.379 1.887 10 70 ADIERN C[C@@H]1NC(=S)c2ccccc2N1 217688771 375419082 /nfs/dbraw/zinc/41/90/82/375419082.db2.gz ZMLQZEQPZDHXLG-LURJTMIESA-N 0 0 178.260 1.723 10 70 ADIERN C[C@H]1NC(=S)c2ccccc2N1 217688697 375418763 /nfs/dbraw/zinc/41/87/63/375418763.db2.gz ZMLQZEQPZDHXLG-ZCFIWIBFSA-N 0 0 178.260 1.723 10 70 ADIERN CCOC(=O)C[SiH](CC)CC 584602894 375552501 /nfs/dbraw/zinc/55/25/01/375552501.db2.gz AWUXAXRBCPRELO-UHFFFAOYSA-N 0 0 174.316 1.816 10 70 ADIERN Cc1ccoc1-c1nsc(N)n1 160635002 409501812 /nfs/dbraw/zinc/50/18/12/409501812.db2.gz YYHWALPOVWFRLT-UHFFFAOYSA-N 0 0 181.220 1.689 10 70 ADIERN Cc1cc(=O)[nH]c(-c2occc2C)n1 160635113 409501916 /nfs/dbraw/zinc/50/19/16/409501916.db2.gz ZLMYIPJJWKEKDS-UHFFFAOYSA-N 0 0 190.202 1.647 10 70 ADIERN CCNC(=O)NC=C1CCCC1 218763710 572012164 /nfs/dbraw/zinc/01/21/64/572012164.db2.gz KRCBPNLIPMBWFF-UHFFFAOYSA-N 0 0 168.240 1.763 10 70 ADIERN C[C@@H](O)[C@@H](C)C[SiH](C)C 238406724 573491461 /nfs/dbraw/zinc/49/14/61/573491461.db2.gz GIWAFEXAZJJFLB-NKWVEPMBSA-N 0 0 146.306 1.490 10 70 ADIERN CN(c1cccc(F)c1)[C@H]1CCC[NH2+]1 218190856 573598324 /nfs/dbraw/zinc/59/83/24/573598324.db2.gz MANHNXVNFPBKOT-NSHDSACASA-N 0 0 194.253 1.971 10 70 ADIERN CCc1cc([C@H](O)COC)n(CC)n1 161008374 573638772 /nfs/dbraw/zinc/63/87/72/573638772.db2.gz KOXQKZOICIKDRM-SNVBAGLBSA-N 0 0 198.266 1.145 10 70 ADIERN C[SiH](C)c1cccc(O)c1 238511714 573774004 /nfs/dbraw/zinc/77/40/04/573774004.db2.gz KFBTUYUKRWWMIF-UHFFFAOYSA-N 0 0 152.269 1.086 10 70 ADIERN C[SiH](C)/C=C/CCCO 238511511 573773637 /nfs/dbraw/zinc/77/36/37/573773637.db2.gz MPQKVWUPZJEPSL-FNORWQNLSA-N 0 0 144.290 1.341 10 70 ADIERN C[SiH](C)c1ccccc1O 238511798 573773857 /nfs/dbraw/zinc/77/38/57/573773857.db2.gz OTYGBPGHFXUGQC-UHFFFAOYSA-N 0 0 152.269 1.086 10 70 ADIERN C[SiH](C)[C@H]1C=CCC(=O)C1 238511321 573775040 /nfs/dbraw/zinc/77/50/40/573775040.db2.gz NPIANZABVYPKMX-QMMMGPOBSA-N 0 0 154.285 1.762 10 70 ADIERN C[SiH](C)c1ccc(C=O)cc1 238511635 573775353 /nfs/dbraw/zinc/77/53/53/573775353.db2.gz PEVOTVIPDZCGND-UHFFFAOYSA-N 0 0 164.280 1.193 10 70 ADIERN CC1=CC[C@H](O)C[C@H]1[SiH](C)C 238511365 573775414 /nfs/dbraw/zinc/77/54/14/573775414.db2.gz VTKHXYQZFFTKCO-DTWKUNHWSA-N 0 0 170.328 1.944 10 70 ADIERN CC(C)[SiH](C#C[C@@H](C)O)C(C)C 238216016 573963829 /nfs/dbraw/zinc/96/38/29/573963829.db2.gz SBRZZIODADLUGQ-SNVBAGLBSA-N 0 0 184.355 1.957 10 70 ADIERN CCC/C=C\[C@@H](C)OCCO 217660396 574008054 /nfs/dbraw/zinc/00/80/54/574008054.db2.gz BCVYXTGNZSKJJJ-SSJHQANKSA-N 0 0 158.241 1.740 10 70 ADIERN CC1=CCN(C(=O)COC(C)C)CC1 160172209 520863956 /nfs/dbraw/zinc/86/39/56/520863956.db2.gz BKNDAVPEOROOAM-UHFFFAOYSA-N 0 0 197.278 1.590 10 70 ADIERN CCCN(C)C(=O)c1ccncc1F 161402044 521471831 /nfs/dbraw/zinc/47/18/31/521471831.db2.gz HSPFNSCCCJDXDZ-UHFFFAOYSA-N 0 0 196.225 1.703 10 70 ADIERN CCOCC(=O)N1CC=C(C)CC1 160174787 521661346 /nfs/dbraw/zinc/66/13/46/521661346.db2.gz IDRHFTAZMKAVMR-UHFFFAOYSA-N 0 0 183.251 1.202 10 70 ADIERN CCc1ncnc(N[C@H]2C[C@@H]2C)c1F 218003735 522612417 /nfs/dbraw/zinc/61/24/17/522612417.db2.gz KXSBQTMJCIAXHK-XPUUQOCRSA-N 0 0 195.241 1.998 10 70 ADIERN CCc1ncnc(N[C@H]2C[C@H]2C)c1F 218003887 522612849 /nfs/dbraw/zinc/61/28/49/522612849.db2.gz KXSBQTMJCIAXHK-SVRRBLITSA-N 0 0 195.241 1.998 10 70 ADIERN CC[C@@H]1CC[C@@H](C)N1C(=O)NC 161480369 523349732 /nfs/dbraw/zinc/34/97/32/523349732.db2.gz CGMHBDCLEXSLOS-HTQZYQBOSA-N 0 0 170.256 1.589 10 70 ADIERN C[C@@H]1OCC[C@H]1NC(=O)NC1CCC1 160692765 525589979 /nfs/dbraw/zinc/58/99/79/525589979.db2.gz OJIKWYGCSMSFJV-IONNQARKSA-N 0 0 198.266 1.016 10 70 ADIERN Cc1cnc(NC[C@H]2C[C@H]2C)nc1 160423228 526091993 /nfs/dbraw/zinc/09/19/93/526091993.db2.gz PLGCIVZZYLNLIG-RKDXNWHRSA-N 0 0 177.251 1.853 10 70 ADIERN Cc1cnc(NC[C@@H]2C[C@@H]2C)nc1 160422885 526093018 /nfs/dbraw/zinc/09/30/18/526093018.db2.gz PLGCIVZZYLNLIG-IUCAKERBSA-N 0 0 177.251 1.853 10 70 ADIERN Cc1nsc(NC[C@@H]2C[C@H]2C)n1 161408884 526714532 /nfs/dbraw/zinc/71/45/32/526714532.db2.gz YBYUCTVRCZTTJI-VDTYLAMSSA-N 0 0 183.280 1.914 10 70 ADIERN