smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000009213054 554983309 /nfs/dbraw/zinc/98/33/09/554983309.db2.gz YUTZYVTZDVZBJJ-DFQSSKMNSA-N 1 3 460.579 0.350 10 0 JCAEHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000013298752 555372846 /nfs/dbraw/zinc/37/28/46/555372846.db2.gz YUTZYVTZDVZBJJ-YSIASYRMSA-N 1 3 460.579 0.350 10 0 JCAEHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000103463404 569835295 /nfs/dbraw/zinc/83/52/95/569835295.db2.gz YUTZYVTZDVZBJJ-SXLOBPIMSA-N 1 3 460.579 0.350 10 0 JCAEHO