smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)([O-])O ZINC000013522304 560218375 /nfs/dbraw/zinc/21/83/75/560218375.db2.gz AJFWMDFTVVFMHY-LLVKDONJSA-N -1 2 400.390 -0.615 1 0 in-vitro HBAFLM CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@@](=O)([O-])O ZINC000013522304 560218373 /nfs/dbraw/zinc/21/83/73/560218373.db2.gz AJFWMDFTVVFMHY-LLVKDONJSA-N -1 2 400.390 -0.615 1 0 in-vitro HBAFLM