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CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)NC(C)=O ZINC000604374027 1066212935 /nfs/dbraw/zinc/21/29/35/1066212935.db2.gz OBVMZRZBGKRWMI-GVZXKLRDSA-N 0 0 772.901 -0.374 40 0 biogenic,in-vitro KBABRN CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)NC(C)=O ZINC000604374028 1066213109 /nfs/dbraw/zinc/21/31/09/1066213109.db2.gz OBVMZRZBGKRWMI-IJJKDFASSA-N 0 0 772.901 -0.374 40 0 biogenic,in-vitro KBABRN CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)NC(C)=O ZINC000604374029 1066212967 /nfs/dbraw/zinc/21/29/67/1066212967.db2.gz OBVMZRZBGKRWMI-YUXCKEPQSA-N 0 0 772.901 -0.374 40 0 biogenic,in-vitro KBABRN CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)NC(C)=O ZINC000604374030 1066212989 /nfs/dbraw/zinc/21/29/89/1066212989.db2.gz OBVMZRZBGKRWMI-YYNVHWCFSA-N 0 0 772.901 -0.374 40 0 biogenic,in-vitro KBABRN CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(C4COC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534613089 1066234439 /nfs/dbraw/zinc/23/44/39/1066234439.db2.gz PKOTXZFMNNQWGU-XJUOHMSHSA-N 0 0 508.641 -0.173 40 0 KBABRN COc1ccc(C[C@@H]2COC(=O)[C@H]2[C@@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC ZINC001534690633 1066234426 /nfs/dbraw/zinc/23/44/26/1066234426.db2.gz BYTMLMCPEAZVOF-ALTRMAITSA-N 0 0 550.557 -0.044 40 0 KBABRN COc1ccc(C[C@@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC ZINC001534690642 1066234363 /nfs/dbraw/zinc/23/43/63/1066234363.db2.gz BYTMLMCPEAZVOF-AOQLOUFHSA-N 0 0 550.557 -0.044 40 0 KBABRN COc1ccc(C[C@@H]2COC(=O)[C@@H]2[C@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC ZINC001534690643 1066234475 /nfs/dbraw/zinc/23/44/75/1066234475.db2.gz BYTMLMCPEAZVOF-RHOILRPKSA-N 0 0 550.557 -0.044 40 0 KBABRN COc1ccc(C[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC ZINC001534690647 1066234484 /nfs/dbraw/zinc/23/44/84/1066234484.db2.gz BYTMLMCPEAZVOF-VHQVALCOSA-N 0 0 550.557 -0.044 40 0 KBABRN [NH3+]CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC001542984446 1066234494 /nfs/dbraw/zinc/23/44/94/1066234494.db2.gz GDCVFOGCWAPRRA-UHFFFAOYSA-N 0 0 573.677 -0.398 40 0 KBABRN CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001560408824 1066235569 /nfs/dbraw/zinc/23/55/69/1066235569.db2.gz ZQUJIHFYAYHNBE-PKQISHPWSA-N 0 0 593.660 -0.750 40 0 KBABRN 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