smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)NCCCCCC(=O)NCCCC[C@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] ZINC000022052501 555866567 /nfs/dbraw/zinc/86/65/67/555866567.db2.gz LBCVPQNRDSBAQA-OAHLLOKOSA-N -2 2 475.539 1.282 40 0 in-vitro JDABLL CC(C)(C)OC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] ZINC000022052506 555866563 /nfs/dbraw/zinc/86/65/63/555866563.db2.gz LBCVPQNRDSBAQA-HNNXBMFYSA-N -2 2 475.539 1.282 40 0 in-vitro JDABLL