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/nfs/dbraw/zinc/88/04/53/572880453.db2.gz QVRMCYUHTLZYRU-SNAWJCMRSA-N 0 1 187.670 1.321 20 30 ADEDMN CC(C)CCON=C(N)C(C)C 307971693 572880874 /nfs/dbraw/zinc/88/08/74/572880874.db2.gz YGVYACZMZIVSHG-UHFFFAOYSA-N 0 1 172.272 1.977 20 30 ADEDMN C#CC[N@H+](CCC#CC)C1CC1 307971980 572881616 /nfs/dbraw/zinc/88/16/16/572881616.db2.gz YRTBUHZLVZYEBA-UHFFFAOYSA-N 0 1 161.248 1.497 20 30 ADEDMN C#C[C@@H](C)N(C)CCC(=O)C1CC1 308169134 572888224 /nfs/dbraw/zinc/88/82/24/572888224.db2.gz YUAMMNYFUDCAPW-SECBINFHSA-N 0 1 179.263 1.309 20 30 ADEDMN C=C[C@H](C)NCc1cn(C)cn1 307968747 572884282 /nfs/dbraw/zinc/88/42/82/572884282.db2.gz VLMWAMLIPGQNDM-QMMMGPOBSA-N 0 1 165.240 1.084 20 30 ADEDMN CCCC(N)=NOCCCSC 307968621 572885529 /nfs/dbraw/zinc/88/55/29/572885529.db2.gz FFXVOKIZAZVMBE-UHFFFAOYSA-N 0 1 190.312 1.828 20 30 ADEDMN C=C[C@@H](C)NCc1cn(C)cn1 307968746 572885853 /nfs/dbraw/zinc/88/58/53/572885853.db2.gz VLMWAMLIPGQNDM-MRVPVSSYSA-N 0 1 165.240 1.084 20 30 ADEDMN C#CCN(CC#CC)CCCC 307986767 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C=C(Cl)CN(CC)CC(C)(C)O 86274803 572903467 /nfs/dbraw/zinc/90/34/67/572903467.db2.gz KORKEXJXSKCYIG-UHFFFAOYSA-N 0 1 191.702 1.832 20 30 ADEDMN C=CCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C 86258845 572906712 /nfs/dbraw/zinc/90/67/12/572906712.db2.gz ZBGVAQCFDZBWIE-BDAKNGLRSA-N 0 1 183.251 1.358 20 30 ADEDMN C=CCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86258843 572906831 /nfs/dbraw/zinc/90/68/31/572906831.db2.gz ZBGVAQCFDZBWIE-DTWKUNHWSA-N 0 1 183.251 1.358 20 30 ADEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C 86258915 572906944 /nfs/dbraw/zinc/90/69/44/572906944.db2.gz NUJGKEDJKXVVSV-UWVGGRQHSA-N 0 1 197.278 1.748 20 30 ADEDMN C=CCCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86258713 572907041 /nfs/dbraw/zinc/90/70/41/572907041.db2.gz VXNBLUNVZSMPJH-VHSXEESVSA-N 0 1 197.278 1.748 20 30 ADEDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC#N 86258174 572907045 /nfs/dbraw/zinc/90/70/45/572907045.db2.gz PXEHQNQUMQTLDB-RKDXNWHRSA-N 0 1 196.250 1.085 20 30 ADEDMN C=CCCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C 86258712 572907214 /nfs/dbraw/zinc/90/72/14/572907214.db2.gz VXNBLUNVZSMPJH-NXEZZACHSA-N 0 1 197.278 1.748 20 30 ADEDMN C=C(CC)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86258917 572907404 /nfs/dbraw/zinc/90/74/04/572907404.db2.gz NUJGKEDJKXVVSV-VHSXEESVSA-N 0 1 197.278 1.748 20 30 ADEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C 86258715 572907510 /nfs/dbraw/zinc/90/75/10/572907510.db2.gz VXNBLUNVZSMPJH-ZJUUUORDSA-N 0 1 197.278 1.748 20 30 ADEDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC#N 86258177 572907519 /nfs/dbraw/zinc/90/75/19/572907519.db2.gz PXEHQNQUMQTLDB-DTWKUNHWSA-N 0 1 196.250 1.085 20 30 ADEDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC#N 86258185 572907999 /nfs/dbraw/zinc/90/79/99/572907999.db2.gz PXEHQNQUMQTLDB-IUCAKERBSA-N 0 1 196.250 1.085 20 30 ADEDMN C=CCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C 86258846 572908093 /nfs/dbraw/zinc/90/80/93/572908093.db2.gz ZBGVAQCFDZBWIE-IUCAKERBSA-N 0 1 183.251 1.358 20 30 ADEDMN C=CCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C 86258840 572908237 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/nfs/dbraw/zinc/17/89/63/573178963.db2.gz QRIDXTUMGDHUGU-UHFFFAOYSA-N 0 1 179.223 1.479 20 30 ADEDMN C=CC[N@@H+]1CC[C@@H](C(=O)[O-])C1(C)C 259362922 573188325 /nfs/dbraw/zinc/18/83/25/573188325.db2.gz KHWOWDWKVBRNEO-QMMMGPOBSA-N 0 1 183.251 1.358 20 30 ADEDMN C=C[C@@H](COC)NCc1c[nH]nc1C 308514547 573189721 /nfs/dbraw/zinc/18/97/21/573189721.db2.gz MDXKVBGKDGHELD-JTQLQIEISA-N 0 1 195.266 1.009 20 30 ADEDMN C#CCN[C@@H](CO)c1ccc(F)cc1 308515504 573191642 /nfs/dbraw/zinc/19/16/42/573191642.db2.gz NAFZHARPGNMPAR-NSHDSACASA-N 0 1 193.221 1.082 20 30 ADEDMN C#CCN[C@H](CO)c1ccc(F)cc1 308515503 573193693 /nfs/dbraw/zinc/19/36/93/573193693.db2.gz NAFZHARPGNMPAR-LLVKDONJSA-N 0 1 193.221 1.082 20 30 ADEDMN CCON=C1C[N@H+](C(C)C)C[C@H]1C 308305359 573197903 /nfs/dbraw/zinc/19/79/03/573197903.db2.gz NMROYGURUJVJST-SECBINFHSA-N 0 1 184.283 1.739 20 30 ADEDMN C=C1CCN(CC(OC)OC)CC1 308310483 573206286 /nfs/dbraw/zinc/20/62/86/573206286.db2.gz RCRAKLUOQBAGPJ-UHFFFAOYSA-N 0 1 185.267 1.257 20 30 ADEDMN 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OOIVVYVEQFCMAD-UHFFFAOYSA-N 0 1 198.266 1.477 20 30 ADEDMN COC[C@H](CC(C)C)NCCC#N 308328385 573256036 /nfs/dbraw/zinc/25/60/36/573256036.db2.gz HDMNKPAHYBQKSC-JTQLQIEISA-N 0 1 184.283 1.551 20 30 ADEDMN CC(C)(C#N)CNC[C@H]1CCC=CO1 129220132 573259613 /nfs/dbraw/zinc/25/96/13/573259613.db2.gz NUDGDPSVIBAOFB-SNVBAGLBSA-N 0 1 194.278 1.818 20 30 ADEDMN C=CC[N@H+](CC=C(C)C)CC(=O)[O-] 86138536 573268883 /nfs/dbraw/zinc/26/88/83/573268883.db2.gz LPCYXGXSBZNPHD-UHFFFAOYSA-N 0 1 183.251 1.525 20 30 ADEDMN CC(C)(O)CCN1CCC[C@H](C#N)C1 86236401 573321842 /nfs/dbraw/zinc/32/18/42/573321842.db2.gz IJQXIZLBAIAVCV-SNVBAGLBSA-N 0 1 196.294 1.383 20 30 ADEDMN C[C@@H]1CN(C)CC1=NOCC(F)F 308345960 573332845 /nfs/dbraw/zinc/33/28/45/573332845.db2.gz VKJNVBGDYXDACD-ZCFIWIBFSA-N 0 1 192.209 1.206 20 30 ADEDMN N#CCCNC[C@@H]1CCC=CO1 50267775 573337316 /nfs/dbraw/zinc/33/73/16/573337316.db2.gz YEEVBIMBHGIUDW-VIFPVBQESA-N 0 1 166.224 1.182 20 30 ADEDMN C#C[C@H](NCc1c[nH]cn1)C(C)(C)C 308555564 573339467 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