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[C@@H]1NC(=O)CN(CCc2ccc(O)c(O)c2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)([O-])[O-])NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O ZINC000169300430 562852815 /nfs/dbraw/zinc/85/28/15/562852815.db2.gz ZHJLNTHUOHLAFL-FBMTYVMNSA-N -2 1 871.864 -3.373 1 10 KACFML